SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2d52'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D1V_A_H4BA700_1
(BOVINE ENDOTHELIAL
NITRIC OXIDE
SYNTHASE HEME)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.34A 1d1vA-2d52A:
0.6
1d1vB-2d52A:
0.8		 1d1vA-2d52A:
21.85
1d1vB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D1V_B_H4BB701_1
(BOVINE ENDOTHELIAL
NITRIC OXIDE
SYNTHASE HEME)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.37A 1d1vA-2d52A:
0.6
1d1vB-2d52A:
0.8		 1d1vA-2d52A:
21.85
1d1vB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D1W_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.36A 1d1wA-2d52A:
0.6
1d1wB-2d52A:
0.9		 1d1wA-2d52A:
21.85
1d1wB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D1W_B_H4BB601_1
(NITRIC OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.43A 1d1wA-2d52A:
0.6
1d1wB-2d52A:
0.9		 1d1wA-2d52A:
21.85
1d1wB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D1X_A_H4BA600_1
(BOVINE ENDOTHELIAL
NITRIC OXIDE
SYNTHASE HEME DOMAIN)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.36A 1d1xA-2d52A:
0.6
1d1xB-2d52A:
0.8		 1d1xA-2d52A:
21.85
1d1xB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D1X_B_H4BB601_1
(BOVINE ENDOTHELIAL
NITRIC OXIDE
SYNTHASE HEME DOMAIN)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.39A 1d1xA-2d52A:
0.6
1d1xB-2d52A:
0.8		 1d1xA-2d52A:
21.85
1d1xB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DM8_A_H4BA1600_1
(NITRIC OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.35A 1dm8A-2d52A:
0.5
1dm8B-2d52A:
0.9		 1dm8A-2d52A:
21.85
1dm8B-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DM8_B_H4BB2600_1
(NITRIC OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.39A 1dm8A-2d52A:
0.5
1dm8B-2d52A:
0.8		 1dm8A-2d52A:
21.85
1dm8B-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DMI_B_BHSB2610_1
(NITRIC OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.41A 1dmiA-2d52A:
0.6
1dmiB-2d52A:
0.9		 1dmiA-2d52A:
21.85
1dmiB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ERE_E_ESTE600_1
(ESTROGEN RECEPTOR)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 8 MET A 286
ALA A 331
GLU A 330
ARG A 344
 None
 0.97A 1ereE-2d52A:
undetectable		 1ereE-2d52A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ERE_F_ESTF600_1
(ESTROGEN RECEPTOR)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 8 MET A 286
ALA A 331
GLU A 330
ARG A 344
 None
 0.95A 1ereF-2d52A:
undetectable		 1ereF-2d52A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FOP_A_H4BA1600_1
(NITRIC-OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.33A 1fopA-2d52A:
0.7
1fopB-2d52A:
0.0		 1fopA-2d52A:
21.85
1fopB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FOP_B_H4BB2600_1
(NITRIC-OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.43A 1fopA-2d52A:
0.6
1fopB-2d52A:
0.0		 1fopA-2d52A:
21.85
1fopB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NSE_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.36A 1nseA-2d52A:
0.6
1nseB-2d52A:
0.6		 1nseA-2d52A:
21.85
1nseB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NSE_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.35A 1nseA-2d52A:
0.6
1nseB-2d52A:
0.6		 1nseA-2d52A:
21.85
1nseB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6L_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.45A 1p6lA-2d52A:
0.0
1p6lB-2d52A:
0.5		 1p6lA-2d52A:
21.71
1p6lB-2d52A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6L_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.39A 1p6lA-2d52A:
0.0
1p6lB-2d52A:
0.5		 1p6lA-2d52A:
21.71
1p6lB-2d52A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6M_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.39A 1p6mA-2d52A:
0.8
1p6mB-2d52A:
0.0		 1p6mA-2d52A:
21.71
1p6mB-2d52A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6M_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.34A 1p6mA-2d52A:
0.8
1p6mB-2d52A:
0.0		 1p6mA-2d52A:
21.71
1p6mB-2d52A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6N_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.48A 1p6nA-2d52A:
0.0
1p6nB-2d52A:
0.5		 1p6nA-2d52A:
21.71
1p6nB-2d52A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6N_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.30A 1p6nA-2d52A:
0.0
1p6nB-2d52A:
0.5		 1p6nA-2d52A:
21.71
1p6nB-2d52A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q2O_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.34A 1q2oA-2d52A:
0.0
1q2oB-2d52A:
0.8		 1q2oA-2d52A:
21.81
1q2oB-2d52A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q2O_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.39A 1q2oA-2d52A:
0.0
1q2oB-2d52A:
0.8		 1q2oA-2d52A:
21.81
1q2oB-2d52A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_A_FOLA605_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		5 / 12 ALA A  30
LEU A 400
SER A 402
ILE A  35
THR A  29
 None
 1.07A 1qzfA-2d52A:
undetectable		 1qzfA-2d52A:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_B_FOLB609_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		5 / 12 ALA A  30
LEU A 400
SER A 402
ILE A  35
THR A  29
 None
 1.07A 1qzfB-2d52A:
undetectable		 1qzfB-2d52A:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_C_FOLC613_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		5 / 12 ALA A  30
LEU A 400
SER A 402
ILE A  35
THR A  29
 None
 1.07A 1qzfC-2d52A:
undetectable		 1qzfC-2d52A:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_D_FOLD617_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		5 / 12 ALA A  30
LEU A 400
SER A 402
ILE A  35
THR A  29
 None
 1.07A 1qzfD-2d52A:
undetectable		 1qzfD-2d52A:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZF_E_FOLE621_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		5 / 12 ALA A  30
LEU A 400
SER A 402
ILE A  35
THR A  29
 None
 1.08A 1qzfE-2d52A:
undetectable		 1qzfE-2d52A:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS8_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.40A 1rs8A-2d52A:
0.7
1rs8B-2d52A:
0.5		 1rs8A-2d52A:
21.81
1rs8B-2d52A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS8_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.36A 1rs8A-2d52A:
0.7
1rs8B-2d52A:
0.5		 1rs8A-2d52A:
21.81
1rs8B-2d52A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS9_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.35A 1rs9A-2d52A:
0.8
1rs9B-2d52A:
0.9		 1rs9A-2d52A:
21.81
1rs9B-2d52A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS9_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.35A 1rs9A-2d52A:
0.8
1rs9B-2d52A:
0.9		 1rs9A-2d52A:
21.81
1rs9B-2d52A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XVA_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		5 / 12 VAL A 299
ASP A 298
GLY A 180
ILE A 172
TYR A 186
 None
 1.42A 1xvaA-2d52A:
undetectable		 1xvaA-2d52A:
22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZS_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.33A 1zzsA-2d52A:
0.0
1zzsB-2d52A:
0.8		 1zzsA-2d52A:
21.81
1zzsB-2d52A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZS_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.36A 1zzsA-2d52A:
0.0
1zzsB-2d52A:
0.9		 1zzsA-2d52A:
21.81
1zzsB-2d52A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_C_GBNC1414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		5 / 8 TYR A 360
GLY A  36
THR A  37
ALA A 233
ALA A 234
 None
 1.47A 2ej3C-2d52A:
undetectable		 2ej3C-2d52A:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HX2_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.39A 2hx2A-2d52A:
0.8
2hx2B-2d52A:
0.8		 2hx2A-2d52A:
21.81
2hx2B-2d52A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HX2_B_H4BB760_1
(NITRIC-OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.36A 2hx2A-2d52A:
0.8
2hx2B-2d52A:
0.8		 2hx2A-2d52A:
21.81
2hx2B-2d52A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NSE_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.33A 2nseA-2d52A:
0.0
2nseB-2d52A:
0.8		 2nseA-2d52A:
21.85
2nseB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OUZ_A_C3DA999_1
(ESTROGEN RECEPTOR)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 ALA A 126
GLU A 129
ARG A 366
MET A 184
 None
 1.18A 2ouzA-2d52A:
undetectable		 2ouzA-2d52A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QX6_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		5 / 6 PHE A 278
ILE A 267
PHE A 228
GLY A 322
GLY A 321
 COA  A 500 (-4.8A)
COA  A 500 ( 4.2A)
None
COA  A 500 (-3.2A)
COA  A 500 (-4.0A)
 1.14A 2qx6A-2d52A:
undetectable
2qx6B-2d52A:
undetectable		 2qx6A-2d52A:
19.85
2qx6B-2d52A:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2UZ2_A_ACTA1123_0
(XENAVIDIN)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 7 LEU A 399
THR A 397
VAL A 299
TRP A 316
 None
 0.97A 2uz2A-2d52A:
undetectable		 2uz2A-2d52A:
14.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 THR A 182
VAL A 183
GLU A 205
CYH A 203
 None
 1.15A 3b6rB-2d52A:
undetectable		 3b6rB-2d52A:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BGD_B_PM6B302_1
(THIOPURINE
S-METHYLTRANSFERASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 7 THR A 120
LEU A 200
LEU A 163
LEU A 140
 None
 0.91A 3bgdB-2d52A:
undetectable		 3bgdB-2d52A:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DQR_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 7 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.31A 3dqrA-2d52A:
undetectable
3dqrB-2d52A:
undetectable		 3dqrA-2d52A:
20.67
3dqrB-2d52A:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DQS_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.37A 3dqsA-2d52A:
0.7
3dqsB-2d52A:
0.8		 3dqsA-2d52A:
21.81
3dqsB-2d52A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DQS_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.37A 3dqsA-2d52A:
0.7
3dqsB-2d52A:
0.8		 3dqsA-2d52A:
21.81
3dqsB-2d52A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DQT_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.38A 3dqtA-2d52A:
0.6
3dqtB-2d52A:
0.8		 3dqtA-2d52A:
21.81
3dqtB-2d52A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DQT_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 7 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.33A 3dqtA-2d52A:
0.6
3dqtB-2d52A:
undetectable		 3dqtA-2d52A:
21.81
3dqtB-2d52A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWX_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.35A 3jwxA-2d52A:
0.7
3jwxB-2d52A:
0.9		 3jwxA-2d52A:
21.85
3jwxB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWX_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.38A 3jwxA-2d52A:
0.7
3jwxB-2d52A:
0.9		 3jwxA-2d52A:
21.85
3jwxB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWY_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.33A 3jwyA-2d52A:
0.5
3jwyB-2d52A:
0.5		 3jwyA-2d52A:
21.85
3jwyB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWY_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.37A 3jwyA-2d52A:
0.5
3jwyB-2d52A:
0.4		 3jwyA-2d52A:
21.85
3jwyB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWZ_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.39A 3jwzA-2d52A:
0.7
3jwzB-2d52A:
1.0		 3jwzA-2d52A:
21.85
3jwzB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWZ_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.38A 3jwzA-2d52A:
0.7
3jwzB-2d52A:
1.0		 3jwzA-2d52A:
21.85
3jwzB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JX4_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 7 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.32A 3jx4A-2d52A:
0.6
3jx4B-2d52A:
0.6		 3jx4A-2d52A:
20.67
3jx4B-2d52A:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N5P_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.35A 3n5pA-2d52A:
0.8
3n5pB-2d52A:
0.9		 3n5pA-2d52A:
21.85
3n5pB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N5Q_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.32A 3n5qA-2d52A:
0.5
3n5qB-2d52A:
0.6		 3n5qA-2d52A:
21.85
3n5qB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N5R_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.40A 3n5rA-2d52A:
0.7
3n5rB-2d52A:
1.0		 3n5rA-2d52A:
21.85
3n5rB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N5R_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.38A 3n5rA-2d52A:
0.7
3n5rB-2d52A:
1.0		 3n5rA-2d52A:
21.85
3n5rB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N5S_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.34A 3n5sA-2d52A:
0.7
3n5sB-2d52A:
0.8		 3n5sA-2d52A:
21.85
3n5sB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N5S_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.39A 3n5sA-2d52A:
0.7
3n5sB-2d52A:
0.8		 3n5sA-2d52A:
21.85
3n5sB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N5T_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.39A 3n5tA-2d52A:
0.8
3n5tB-2d52A:
0.0		 3n5tA-2d52A:
21.85
3n5tB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N6E_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.40A 3n6eA-2d52A:
0.6
3n6eB-2d52A:
0.9		 3n6eA-2d52A:
21.85
3n6eB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N6E_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.39A 3n6eA-2d52A:
0.6
3n6eB-2d52A:
0.9		 3n6eA-2d52A:
21.85
3n6eB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N6F_A_H4BA600_1
('NITRIC OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.36A 3n6fA-2d52A:
0.6
3n6fB-2d52A:
0.7		 3n6fA-2d52A:
21.85
3n6fB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N6F_B_H4BB600_1
('NITRIC OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.38A 3n6fA-2d52A:
0.6
3n6fB-2d52A:
0.7		 3n6fA-2d52A:
21.85
3n6fB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N6G_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.36A 3n6gA-2d52A:
0.8
3n6gB-2d52A:
0.9		 3n6gA-2d52A:
21.85
3n6gB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N6G_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.39A 3n6gA-2d52A:
0.8
3n6gB-2d52A:
0.9		 3n6gA-2d52A:
21.85
3n6gB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLD_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.50A 3nldA-2d52A:
0.8
3nldB-2d52A:
0.9		 3nldA-2d52A:
21.85
3nldB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLE_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.33A 3nleA-2d52A:
0.1
3nleB-2d52A:
0.7		 3nleA-2d52A:
21.85
3nleB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLE_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.35A 3nleA-2d52A:
0.1
3nleB-2d52A:
0.7		 3nleA-2d52A:
21.85
3nleB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLF_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.34A 3nlfA-2d52A:
0.7
3nlfB-2d52A:
0.8		 3nlfA-2d52A:
21.85
3nlfB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLG_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.33A 3nlgA-2d52A:
0.5
3nlgB-2d52A:
0.7		 3nlgA-2d52A:
21.85
3nlgB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLG_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.34A 3nlgA-2d52A:
0.5
3nlgB-2d52A:
0.8		 3nlgA-2d52A:
21.85
3nlgB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLH_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.32A 3nlhA-2d52A:
0.7
3nlhB-2d52A:
0.8		 3nlhA-2d52A:
21.85
3nlhB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLH_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.33A 3nlhA-2d52A:
0.7
3nlhB-2d52A:
0.8		 3nlhA-2d52A:
21.85
3nlhB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLI_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.36A 3nliA-2d52A:
0.1
3nliB-2d52A:
0.5		 3nliA-2d52A:
21.85
3nliB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLI_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.40A 3nliA-2d52A:
0.1
3nliB-2d52A:
0.6		 3nliA-2d52A:
21.85
3nliB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLU_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.36A 3nluA-2d52A:
0.5
3nluB-2d52A:
0.5		 3nluA-2d52A:
21.85
3nluB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NOS_A_H4BA511_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.28A 3nosA-2d52A:
0.8
3nosB-2d52A:
0.7		 3nosA-2d52A:
19.38
3nosB-2d52A:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NOS_B_H4BB1011_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.29A 3nosA-2d52A:
0.8
3nosB-2d52A:
0.7		 3nosA-2d52A:
19.38
3nosB-2d52A:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PNH_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.36A 3pnhA-2d52A:
0.7
3pnhB-2d52A:
0.6		 3pnhA-2d52A:
21.81
3pnhB-2d52A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PNH_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.38A 3pnhA-2d52A:
0.7
3pnhB-2d52A:
0.6		 3pnhA-2d52A:
21.81
3pnhB-2d52A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQO_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.36A 3rqoA-2d52A:
1.0
3rqoB-2d52A:
0.9		 3rqoA-2d52A:
21.89
3rqoB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQO_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.40A 3rqoA-2d52A:
1.0
3rqoB-2d52A:
0.9		 3rqoA-2d52A:
21.89
3rqoB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQP_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.35A 3rqpA-2d52A:
0.7
3rqpB-2d52A:
0.1		 3rqpA-2d52A:
21.89
3rqpB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3V_A_TOPA193_1
(DIHYDROFOLATE
REDUCTASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 5 ASP A 327
LEU A 326
ILE A 288
PRO A 285
 None
None
None
COA  A 500 ( 4.5A)
 1.09A 3s3vA-2d52A:
undetectable		 3s3vA-2d52A:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TM4_A_SAMA401_1
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 5 HIS A 401
SER A 402
THR A 376
ASP A 240
 None
 1.41A 3tm4A-2d52A:
undetectable		 3tm4A-2d52A:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TM4_A_SAMA401_1
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 5 SER A 402
THR A 376
GLU A 251
ASP A 240
 None
 1.44A 3tm4A-2d52A:
undetectable		 3tm4A-2d52A:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TM4_B_SAMB401_1
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 5 HIS A 401
SER A 402
THR A 376
ASP A 240
 None
 1.40A 3tm4B-2d52A:
undetectable		 3tm4B-2d52A:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_C_SAMC401_0
(MNMC2)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		5 / 12 TYR A  85
LEU A 211
GLY A 210
ALA A 232
LEU A 118
 None
 1.08A 3vywC-2d52A:
undetectable		 3vywC-2d52A:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W1W_A_CHDA1503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 8 ILE A 252
LEU A 400
VAL A 358
GLY A 359
 None
 0.75A 3w1wA-2d52A:
undetectable		 3w1wA-2d52A:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C3A_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.35A 4c3aA-2d52A:
0.6
4c3aB-2d52A:
0.7		 4c3aA-2d52A:
21.89
4c3aB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C3A_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.39A 4c3aA-2d52A:
0.6
4c3aB-2d52A:
0.8		 4c3aA-2d52A:
21.89
4c3aB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9L_A_CAMA1419_0
(CYTOCHROME P450)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		5 / 12 LEU A 386
LEU A 362
GLY A 359
VAL A 201
ILE A 237
 None
 1.06A 4c9lA-2d52A:
undetectable		 4c9lA-2d52A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9O_A_CAMA423_0
(CYTOCHROME P450)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		5 / 12 LEU A 386
LEU A 362
GLY A 359
VAL A 201
ILE A 237
 None
 1.04A 4c9oA-2d52A:
undetectable		 4c9oA-2d52A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9O_B_CAMB423_0
(CYTOCHROME P450)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		5 / 12 LEU A 386
LEU A 362
GLY A 359
VAL A 201
ILE A 237
 None
 1.04A 4c9oB-2d52A:
undetectable		 4c9oB-2d52A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CAR_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.33A 4carA-2d52A:
0.7
4carB-2d52A:
0.7		 4carA-2d52A:
21.89
4carB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CAR_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.33A 4carA-2d52A:
0.7
4carB-2d52A:
0.7		 4carA-2d52A:
21.89
4carB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CFT_A_H4BA600_1
(ENDOTHELIAL NITRIC
OXIDE SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.33A 4cftA-2d52A:
0.6
4cftB-2d52A:
0.4		 4cftA-2d52A:
21.89
4cftB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CFT_B_H4BB600_1
(ENDOTHELIAL NITRIC
OXIDE SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.35A 4cftA-2d52A:
0.5
4cftB-2d52A:
0.4		 4cftA-2d52A:
21.89
4cftB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTY_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.38A 4ctyA-2d52A:
0.6
4ctyB-2d52A:
0.8		 4ctyA-2d52A:
21.89
4ctyB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTY_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.41A 4ctyA-2d52A:
0.6
4ctyB-2d52A:
0.8		 4ctyA-2d52A:
21.89
4ctyB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTZ_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.30A 4ctzA-2d52A:
0.5
4ctzB-2d52A:
0.8		 4ctzA-2d52A:
21.89
4ctzB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTZ_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.39A 4ctzA-2d52A:
0.5
4ctzB-2d52A:
0.8		 4ctzA-2d52A:
21.89
4ctzB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CU0_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.34A 4cu0A-2d52A:
0.7
4cu0B-2d52A:
0.6		 4cu0A-2d52A:
21.89
4cu0B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CU0_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.37A 4cu0A-2d52A:
0.7
4cu0B-2d52A:
0.6		 4cu0A-2d52A:
21.89
4cu0B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CU1_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.34A 4cu1A-2d52A:
0.7
4cu1B-2d52A:
0.9		 4cu1A-2d52A:
21.89
4cu1B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CU1_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.37A 4cu1A-2d52A:
0.7
4cu1B-2d52A:
0.9		 4cu1A-2d52A:
21.89
4cu1B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CWV_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.37A 4cwvA-2d52A:
0.6
4cwvB-2d52A:
0.9		 4cwvA-2d52A:
21.89
4cwvB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CWV_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.38A 4cwvA-2d52A:
0.6
4cwvB-2d52A:
1.0		 4cwvA-2d52A:
21.89
4cwvB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CWW_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.35A 4cwwA-2d52A:
0.8
4cwwB-2d52A:
0.8		 4cwwA-2d52A:
21.89
4cwwB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CWW_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.34A 4cwwA-2d52A:
0.8
4cwwB-2d52A:
0.8		 4cwwA-2d52A:
21.89
4cwwB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CWX_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.32A 4cwxA-2d52A:
0.6
4cwxB-2d52A:
0.8		 4cwxA-2d52A:
21.89
4cwxB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CWX_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 7 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.37A 4cwxA-2d52A:
undetectable
4cwxB-2d52A:
undetectable		 4cwxA-2d52A:
21.89
4cwxB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CWY_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 7 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.32A 4cwyA-2d52A:
0.8
4cwyB-2d52A:
0.8		 4cwyA-2d52A:
21.89
4cwyB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CWY_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 7 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.34A 4cwyA-2d52A:
0.8
4cwyB-2d52A:
0.8		 4cwyA-2d52A:
21.89
4cwyB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CWZ_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.36A 4cwzA-2d52A:
0.5
4cwzB-2d52A:
0.7		 4cwzA-2d52A:
21.89
4cwzB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CWZ_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.35A 4cwzA-2d52A:
0.5
4cwzB-2d52A:
0.7		 4cwzA-2d52A:
21.89
4cwzB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX0_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.39A 4cx0A-2d52A:
0.6
4cx0B-2d52A:
0.9		 4cx0A-2d52A:
21.89
4cx0B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX0_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.39A 4cx0A-2d52A:
0.6
4cx0B-2d52A:
0.9		 4cx0A-2d52A:
21.89
4cx0B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D1O_A_H4BA1481_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.38A 4d1oA-2d52A:
0.5
4d1oB-2d52A:
0.2		 4d1oA-2d52A:
20.39
4d1oB-2d52A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D1O_B_H4BB1481_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.38A 4d1oA-2d52A:
0.6
4d1oB-2d52A:
0.3		 4d1oA-2d52A:
20.39
4d1oB-2d52A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D1P_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.38A 4d1pA-2d52A:
0.8
4d1pB-2d52A:
0.7		 4d1pA-2d52A:
20.39
4d1pB-2d52A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D33_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.34A 4d33A-2d52A:
0.6
4d33B-2d52A:
0.7		 4d33A-2d52A:
21.89
4d33B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D33_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.36A 4d33A-2d52A:
0.6
4d33B-2d52A:
0.7		 4d33A-2d52A:
21.89
4d33B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D34_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.35A 4d34A-2d52A:
0.6
4d34B-2d52A:
0.6		 4d34A-2d52A:
21.89
4d34B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D34_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.41A 4d34A-2d52A:
0.6
4d34B-2d52A:
0.6		 4d34A-2d52A:
21.89
4d34B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D35_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.39A 4d35A-2d52A:
0.7
4d35B-2d52A:
0.9		 4d35A-2d52A:
21.89
4d35B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D35_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.41A 4d35A-2d52A:
0.7
4d35B-2d52A:
0.9		 4d35A-2d52A:
21.89
4d35B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D36_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.31A 4d36A-2d52A:
0.5
4d36B-2d52A:
0.6		 4d36A-2d52A:
21.89
4d36B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D36_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.33A 4d36A-2d52A:
0.5
4d36B-2d52A:
0.6		 4d36A-2d52A:
21.89
4d36B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D37_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.35A 4d37A-2d52A:
0.6
4d37B-2d52A:
0.7		 4d37A-2d52A:
21.89
4d37B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D37_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.36A 4d37A-2d52A:
0.7
4d37B-2d52A:
0.7		 4d37A-2d52A:
21.89
4d37B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D38_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.36A 4d38A-2d52A:
0.5
4d38B-2d52A:
1.1		 4d38A-2d52A:
21.89
4d38B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D38_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.32A 4d38A-2d52A:
0.5
4d38B-2d52A:
1.1		 4d38A-2d52A:
21.89
4d38B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D39_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.32A 4d39A-2d52A:
0.7
4d39B-2d52A:
0.8		 4d39A-2d52A:
21.89
4d39B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D39_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.34A 4d39A-2d52A:
0.7
4d39B-2d52A:
0.7		 4d39A-2d52A:
21.89
4d39B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D3A_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.29A 4d3aA-2d52A:
0.7
4d3aB-2d52A:
0.9		 4d3aA-2d52A:
21.89
4d3aB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D3A_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.33A 4d3aA-2d52A:
0.7
4d3aB-2d52A:
0.9		 4d3aA-2d52A:
21.89
4d3aB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_C_CLQC303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 5 GLY A 380
GLY A 378
MET A 365
GLU A 382
 None
 1.16A 4fglC-2d52A:
undetectable		 4fglC-2d52A:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IMX_A_H4BA502_1
(SUBUNIT A)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.35A 4imxA-2d52A:
0.0
4imxB-2d52A:
0.8		 4imxA-2d52A:
21.94
4imxB-2d52A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IMX_B_H4BB502_1
(SUBUNIT A)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.36A 4imxA-2d52A:
0.0
4imxB-2d52A:
0.8		 4imxA-2d52A:
21.94
4imxB-2d52A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSK_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.38A 4jskA-2d52A:
0.7
4jskB-2d52A:
0.8		 4jskA-2d52A:
21.89
4jskB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSL_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.35A 4jslA-2d52A:
0.7
4jslB-2d52A:
0.8		 4jslA-2d52A:
21.89
4jslB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSL_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.38A 4jslA-2d52A:
0.7
4jslB-2d52A:
0.8		 4jslA-2d52A:
21.89
4jslB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSM_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.41A 4jsmA-2d52A:
0.6
4jsmB-2d52A:
0.9		 4jsmA-2d52A:
21.89
4jsmB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSM_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.36A 4jsmA-2d52A:
0.6
4jsmB-2d52A:
0.9		 4jsmA-2d52A:
21.89
4jsmB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K5H_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.35A 4k5hA-2d52A:
0.6
4k5hB-2d52A:
0.9		 4k5hA-2d52A:
21.89
4k5hB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K5H_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.38A 4k5hA-2d52A:
0.6
4k5hB-2d52A:
0.9		 4k5hA-2d52A:
21.89
4k5hB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K5I_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.34A 4k5iA-2d52A:
0.8
4k5iB-2d52A:
0.8		 4k5iA-2d52A:
21.89
4k5iB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K5I_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.37A 4k5iA-2d52A:
0.8
4k5iB-2d52A:
0.8		 4k5iA-2d52A:
21.89
4k5iB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K5J_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.31A 4k5jA-2d52A:
0.6
4k5jB-2d52A:
0.8		 4k5jA-2d52A:
21.89
4k5jB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K5J_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 7 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.39A 4k5jA-2d52A:
0.6
4k5jB-2d52A:
undetectable		 4k5jA-2d52A:
21.89
4k5jB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K5K_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.34A 4k5kA-2d52A:
0.9
4k5kB-2d52A:
0.8		 4k5kA-2d52A:
21.89
4k5kB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K5K_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.38A 4k5kA-2d52A:
0.9
4k5kB-2d52A:
0.8		 4k5kA-2d52A:
21.89
4k5kB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCP_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.33A 4kcpA-2d52A:
0.7
4kcpB-2d52A:
0.7		 4kcpA-2d52A:
21.89
4kcpB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCP_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.36A 4kcpA-2d52A:
0.7
4kcpB-2d52A:
0.7		 4kcpA-2d52A:
21.89
4kcpB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCQ_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.33A 4kcqA-2d52A:
0.7
4kcqB-2d52A:
0.7		 4kcqA-2d52A:
21.89
4kcqB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCQ_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.36A 4kcqA-2d52A:
0.7
4kcqB-2d52A:
0.7		 4kcqA-2d52A:
21.89
4kcqB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCR_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.35A 4kcrA-2d52A:
0.7
4kcrB-2d52A:
1.1		 4kcrA-2d52A:
21.89
4kcrB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCR_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.35A 4kcrA-2d52A:
0.8
4kcrB-2d52A:
1.1		 4kcrA-2d52A:
21.89
4kcrB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCS_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.36A 4kcsA-2d52A:
0.7
4kcsB-2d52A:
0.7		 4kcsA-2d52A:
21.89
4kcsB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCS_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.34A 4kcsA-2d52A:
0.7
4kcsB-2d52A:
0.7		 4kcsA-2d52A:
21.89
4kcsB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LUW_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.38A 4luwA-2d52A:
0.6
4luwB-2d52A:
0.9		 4luwA-2d52A:
21.94
4luwB-2d52A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LUW_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.37A 4luwA-2d52A:
0.6
4luwB-2d52A:
0.9		 4luwA-2d52A:
21.94
4luwB-2d52A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKV_B_AERB601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 5 ARG A 336
ASP A 310
GLU A 330
VAL A 292
 None
 1.46A 4nkvB-2d52A:
undetectable		 4nkvB-2d52A:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QTU_B_SAMB301_1
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 5 TYR A 178
GLN A 175
SER A 145
ASP A 220
 None
None
None
COA  A 500 (-4.9A)
 1.10A 4qtuB-2d52A:
undetectable		 4qtuB-2d52A:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QZT_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 2)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		3 / 3 PHE A 228
THR A 394
LEU A 269
 None
 0.77A 4qztA-2d52A:
0.1		 4qztA-2d52A:
16.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH7_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.38A 4uh7A-2d52A:
0.7
4uh7B-2d52A:
0.7		 4uh7A-2d52A:
21.89
4uh7B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH7_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.41A 4uh7A-2d52A:
0.7
4uh7B-2d52A:
0.7		 4uh7A-2d52A:
21.89
4uh7B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH8_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.34A 4uh8A-2d52A:
0.7
4uh8B-2d52A:
0.9		 4uh8A-2d52A:
21.89
4uh8B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH8_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.35A 4uh8A-2d52A:
0.6
4uh8B-2d52A:
0.9		 4uh8A-2d52A:
21.89
4uh8B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH9_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.35A 4uh9A-2d52A:
0.7
4uh9B-2d52A:
1.0		 4uh9A-2d52A:
21.89
4uh9B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH9_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.40A 4uh9A-2d52A:
0.7
4uh9B-2d52A:
1.0		 4uh9A-2d52A:
21.89
4uh9B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UHA_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.32A 4uhaA-2d52A:
0.7
4uhaB-2d52A:
0.6		 4uhaA-2d52A:
21.89
4uhaB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UHA_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.43A 4uhaA-2d52A:
0.7
4uhaB-2d52A:
0.6		 4uhaA-2d52A:
21.89
4uhaB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UPQ_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.34A 4upqA-2d52A:
0.6
4upqB-2d52A:
1.1		 4upqA-2d52A:
21.89
4upqB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UPQ_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.34A 4upqA-2d52A:
0.6
4upqB-2d52A:
1.1		 4upqA-2d52A:
21.89
4upqB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UPR_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.33A 4uprA-2d52A:
0.7
4uprB-2d52A:
0.6		 4uprA-2d52A:
21.89
4uprB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UPR_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.36A 4uprA-2d52A:
0.7
4uprB-2d52A:
0.6		 4uprA-2d52A:
21.89
4uprB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UPS_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.37A 4upsA-2d52A:
0.6
4upsB-2d52A:
0.8		 4upsA-2d52A:
21.89
4upsB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UPS_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.36A 4upsA-2d52A:
0.6
4upsB-2d52A:
0.8		 4upsA-2d52A:
21.89
4upsB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UPT_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.40A 4uptA-2d52A:
0.6
4uptB-2d52A:
0.7		 4uptA-2d52A:
21.89
4uptB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UPT_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.39A 4uptA-2d52A:
0.6
4uptB-2d52A:
0.7		 4uptA-2d52A:
21.89
4uptB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZJL_A_ERYA1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		5 / 12 SER A 145
GLU A 205
LEU A 140
THR A 120
GLY A 119
 None
 1.10A 4zjlA-2d52A:
undetectable		 4zjlA-2d52A:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADJ_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.34A 5adjA-2d52A:
0.9
5adjB-2d52A:
0.7		 5adjA-2d52A:
21.89
5adjB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADJ_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.36A 5adjA-2d52A:
0.9
5adjB-2d52A:
0.7		 5adjA-2d52A:
21.89
5adjB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADK_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.34A 5adkA-2d52A:
0.6
5adkB-2d52A:
0.9		 5adkA-2d52A:
21.89
5adkB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADK_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.34A 5adkA-2d52A:
0.6
5adkB-2d52A:
0.8		 5adkA-2d52A:
21.89
5adkB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADL_A_H4BA600_1
(ENDOTHELIAL NITRIC
OXIDE SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.36A 5adlA-2d52A:
0.6
5adlB-2d52A:
0.4		 5adlA-2d52A:
21.89
5adlB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADL_B_H4BB600_1
(ENDOTHELIAL NITRIC
OXIDE SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 7 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.31A 5adlA-2d52A:
0.6
5adlB-2d52A:
0.4		 5adlA-2d52A:
21.89
5adlB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADM_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.34A 5admA-2d52A:
0.7
5admB-2d52A:
0.9		 5admA-2d52A:
21.89
5admB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADM_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.35A 5admA-2d52A:
0.7
5admB-2d52A:
0.9		 5admA-2d52A:
21.89
5admB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADN_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.40A 5adnA-2d52A:
0.6
5adnB-2d52A:
0.9		 5adnA-2d52A:
21.89
5adnB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADN_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.40A 5adnA-2d52A:
0.6
5adnB-2d52A:
0.8		 5adnA-2d52A:
21.89
5adnB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FJ2_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.36A 5fj2A-2d52A:
0.5
5fj2B-2d52A:
0.9		 5fj2A-2d52A:
21.89
5fj2B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FJ2_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.37A 5fj2A-2d52A:
0.5
5fj2B-2d52A:
0.9		 5fj2A-2d52A:
21.89
5fj2B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FJ3_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.31A 5fj3A-2d52A:
0.9
5fj3B-2d52A:
0.9		 5fj3A-2d52A:
21.89
5fj3B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FJ3_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 7 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.37A 5fj3A-2d52A:
undetectable
5fj3B-2d52A:
undetectable		 5fj3A-2d52A:
21.89
5fj3B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVY_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.36A 5fvyA-2d52A:
0.0
5fvyB-2d52A:
0.8		 5fvyA-2d52A:
21.89
5fvyB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVY_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.34A 5fvyA-2d52A:
0.0
5fvyB-2d52A:
0.8		 5fvyA-2d52A:
21.89
5fvyB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVZ_A_H4BA600_1
(ENDOTHELIAL NITRIC
OXIDE SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.38A 5fvzA-2d52A:
0.0
5fvzB-2d52A:
1.0		 5fvzA-2d52A:
21.89
5fvzB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVZ_B_H4BB600_1
(ENDOTHELIAL NITRIC
OXIDE SYNTHASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.38A 5fvzA-2d52A:
0.0
5fvzB-2d52A:
0.9		 5fvzA-2d52A:
21.89
5fvzB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GWX_A_SAMA301_1
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		3 / 3 ARG A  21
ASN A 194
ASP A 240
 None
 0.86A 5gwxA-2d52A:
undetectable		 5gwxA-2d52A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HFJ_C_SAMC301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		5 / 12 ASP A  51
ALA A  50
PRO A  45
THR A 207
GLU A  87
 None
 1.41A 5hfjC-2d52A:
undetectable		 5hfjC-2d52A:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO8_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.49A 5uo8A-2d52A:
0.9
5uo8B-2d52A:
0.8		 5uo8A-2d52A:
20.39
5uo8B-2d52A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO8_C_H4BC502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.34A 5uo8C-2d52A:
0.6
5uo8D-2d52A:
0.8		 5uo8C-2d52A:
20.39
5uo8D-2d52A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO9_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.35A 5uo9A-2d52A:
0.9
5uo9B-2d52A:
0.9		 5uo9A-2d52A:
20.39
5uo9B-2d52A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO9_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 7 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.38A 5uo9A-2d52A:
0.9
5uo9B-2d52A:
0.9		 5uo9A-2d52A:
20.39
5uo9B-2d52A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO9_C_H4BC502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.31A 5uo9C-2d52A:
0.7
5uo9D-2d52A:
1.0		 5uo9C-2d52A:
20.39
5uo9D-2d52A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO9_D_H4BD502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 7 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.42A 5uo9C-2d52A:
0.7
5uo9D-2d52A:
1.0		 5uo9C-2d52A:
20.39
5uo9D-2d52A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UOD_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.36A 5uodA-2d52A:
0.3
5uodB-2d52A:
0.9		 5uodA-2d52A:
21.89
5uodB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UOD_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.36A 5uodA-2d52A:
0.3
5uodB-2d52A:
0.9		 5uodA-2d52A:
21.89
5uodB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_E_C2FE3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		5 / 12 GLU A 205
GLY A 229
MET A 276
GLY A 176
SER A 355
 None
 1.05A 5vooE-2d52A:
undetectable		 5vooE-2d52A:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VV6_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.33A 5vv6A-2d52A:
0.6
5vv6B-2d52A:
0.7		 5vv6A-2d52A:
21.89
5vv6B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VV6_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.36A 5vv6A-2d52A:
0.6
5vv6B-2d52A:
0.7		 5vv6A-2d52A:
21.89
5vv6B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VV7_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.34A 5vv7A-2d52A:
0.5
5vv7B-2d52A:
0.8		 5vv7A-2d52A:
21.89
5vv7B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VV7_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 7 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.38A 5vv7A-2d52A:
0.5
5vv7B-2d52A:
undetectable		 5vv7A-2d52A:
21.89
5vv7B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VV8_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.35A 5vv8A-2d52A:
0.6
5vv8B-2d52A:
0.8		 5vv8A-2d52A:
21.89
5vv8B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VV8_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.33A 5vv8A-2d52A:
0.6
5vv8B-2d52A:
0.9		 5vv8A-2d52A:
21.89
5vv8B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VV9_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 7 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.36A 5vv9A-2d52A:
0.8
5vv9B-2d52A:
0.9		 5vv9A-2d52A:
21.89
5vv9B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VV9_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.33A 5vv9A-2d52A:
0.8
5vv9B-2d52A:
0.9		 5vv9A-2d52A:
21.89
5vv9B-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VVA_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 7 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.31A 5vvaA-2d52A:
0.6
5vvaB-2d52A:
0.2		 5vvaA-2d52A:
21.89
5vvaB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VVA_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.32A 5vvaA-2d52A:
0.6
5vvaB-2d52A:
0.3		 5vvaA-2d52A:
21.89
5vvaB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VVB_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.29A 5vvbA-2d52A:
0.8
5vvbB-2d52A:
0.0		 5vvbA-2d52A:
20.39
5vvbB-2d52A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VVB_D_H4BD502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.31A 5vvbC-2d52A:
0.6
5vvbD-2d52A:
0.9		 5vvbC-2d52A:
20.39
5vvbD-2d52A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VVC_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.37A 5vvcA-2d52A:
0.0
5vvcB-2d52A:
0.7		 5vvcA-2d52A:
20.39
5vvcB-2d52A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VVC_C_H4BC502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.33A 5vvcC-2d52A:
0.7
5vvcD-2d52A:
0.9		 5vvcC-2d52A:
20.39
5vvcD-2d52A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VVC_D_H4BD502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.40A 5vvcC-2d52A:
0.5
5vvcD-2d52A:
0.8		 5vvcC-2d52A:
20.39
5vvcD-2d52A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VVD_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 7 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.39A 5vvdA-2d52A:
0.0
5vvdB-2d52A:
undetectable		 5vvdA-2d52A:
20.39
5vvdB-2d52A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VVD_C_H4BC502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.34A 5vvdC-2d52A:
0.6
5vvdD-2d52A:
0.3		 5vvdC-2d52A:
20.39
5vvdD-2d52A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VVG_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.35A 5vvgA-2d52A:
0.3
5vvgB-2d52A:
0.9		 5vvgA-2d52A:
21.89
5vvgB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VVG_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.32A 5vvgA-2d52A:
0.3
5vvgB-2d52A:
0.9		 5vvgA-2d52A:
21.89
5vvgB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VVN_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.35A 5vvnA-2d52A:
0.8
5vvnB-2d52A:
0.9		 5vvnA-2d52A:
21.89
5vvnB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VVN_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 7 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.32A 5vvnA-2d52A:
undetectable
5vvnB-2d52A:
undetectable		 5vvnA-2d52A:
21.89
5vvnB-2d52A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AV6_B_H4BB501_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 7 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.42A 6av6A-2d52A:
undetectable
6av6B-2d52A:
undetectable		 6av6A-2d52A:
12.32
6av6B-2d52A:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AV6_C_H4BC502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.45A 6av6C-2d52A:
0.9
6av6D-2d52A:
0.7		 6av6C-2d52A:
12.32
6av6D-2d52A:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AV7_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 7 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.31A 6av7A-2d52A:
undetectable
6av7B-2d52A:
undetectable		 6av7A-2d52A:
12.32
6av7B-2d52A:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AV7_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.39A 6av7A-2d52A:
0.3
6av7B-2d52A:
0.6		 6av7A-2d52A:
12.32
6av7B-2d52A:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AV7_C_H4BC502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.36A 6av7C-2d52A:
0.0
6av7D-2d52A:
0.9		 6av7C-2d52A:
12.32
6av7D-2d52A:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AV7_D_H4BD502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.39A 6av7C-2d52A:
0.0
6av7D-2d52A:
0.9		 6av7C-2d52A:
12.32
6av7D-2d52A:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BER_A_DVAA2_0
(E(DVA)DP(DGL)(DHI)(D
PR)N(DAL)(DPR))		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		3 / 3 GLU A 192
ASP A 240
PRO A 241
 None
 0.39A 6berA-2d52A:
undetectable		 6berA-2d52A:
5.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CIE_A_H4BA502_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.42A 6cieA-2d52A:
0.3
6cieB-2d52A:
0.9		 6cieA-2d52A:
12.32
6cieB-2d52A:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CIE_B_H4BB502_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 7 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.40A 6cieA-2d52A:
0.3
6cieB-2d52A:
0.9		 6cieA-2d52A:
12.32
6cieB-2d52A:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CIE_C_H4BC502_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.39A 6cieC-2d52A:
0.0
6cieD-2d52A:
0.8		 6cieC-2d52A:
12.32
6cieD-2d52A:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CIE_D_H4BD502_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.39A 6cieC-2d52A:
0.0
6cieD-2d52A:
0.8		 6cieC-2d52A:
12.32
6cieD-2d52A:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CIF_A_H4BA502_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.34A 6cifA-2d52A:
0.5
6cifB-2d52A:
0.8		 6cifA-2d52A:
12.32
6cifB-2d52A:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CIF_B_H4BB502_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.36A 6cifA-2d52A:
0.6
6cifB-2d52A:
0.8		 6cifA-2d52A:
12.32
6cifB-2d52A:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CIF_C_H4BC502_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 7 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.32A 6cifC-2d52A:
0.7
6cifD-2d52A:
0.0		 6cifC-2d52A:
12.32
6cifD-2d52A:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CIF_D_H4BD502_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.34A 6cifC-2d52A:
0.6
6cifD-2d52A:
0.0		 6cifC-2d52A:
12.32
6cifD-2d52A:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
8NSE_A_H4BA600_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.38A 8nseA-2d52A:
0.6
8nseB-2d52A:
0.9		 8nseA-2d52A:
21.85
8nseB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
8NSE_B_H4BB601_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.44A 8nseA-2d52A:
0.6
8nseB-2d52A:
0.9		 8nseA-2d52A:
21.85
8nseB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
9NSE_A_H4BA600_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 VAL A  52
ARG A  81
PHE A  83
GLU A  87
 None
 1.36A 9nseA-2d52A:
0.6
9nseB-2d52A:
0.6		 9nseA-2d52A:
21.85
9nseB-2d52A:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
9NSE_B_H4BB601_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 6 PHE A  83
GLU A  87
VAL A  52
ARG A  81
 None
 1.39A 9nseA-2d52A:
0.6
9nseB-2d52A:
0.6		 9nseA-2d52A:
21.85
9nseB-2d52A:
21.85