PDB ID: 6w02


Macromolecule:
NSP3

Source Organism:
SARS-CoV-2

Gene names:
1a-1b
rep

UniProt ID:
P0DTD1

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '6w02'

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

DrReposER ID / Desc. Drug Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM 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.
3N8Y_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Diclofenac5 / 11
VAL B 147
TYR B 113
TYR B  17
ALA B 124
LEU B 122
1.58A15.23
None
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.
4E3H_A_HQEA303_1
(CARBONIC ANHYDRASE 2)		Hydroquinone6 / 10
GLN B 118
LEU B  93
VAL B  95
LEU B 122
THR B 149
VAL B  36
1.63A23.66
None
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.
5G6S_A_RAUA400_1
(IMINE REDUCTASE)		Rasagiline5 / 11
VAL A  95
LEU A  43
TYR A  68
SER A  80
GLY A  73
1.71A22.73
None
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.
3PYY_A_STIA3_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		Imatinib5 / 12
LEU B 153
VAL B 151
ALA B 124
LEU B 127
ALA B 112
1.27A23.67
None
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.
2HND_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Nevirapine5 / 10
LEU A 109
VAL A  95
VAL A  77
GLY A  79
TYR A 113
1.64A17.15
None
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.
1Q23_F_FUAF704_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Fusidic Acid5 / 11
SER B  65
SER B  84
LEU B  88
VAL B  24
VAL B  35
1.53A21.00
None
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.
4MXY_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Bosutinib5 / 12
LEU A 153
VAL A 151
ALA A 124
VAL A  95
LEU A 127
1.41A20.62
None
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.
1D4Y_A_TPVA501_2
(PROTEIN (HIV-1
PROTEASE))		Tipranavir5 / 8
LEU A 126
ALA A  38
GLY A  48
ILE A 131
VAL A 155
1.57A18.50
APR  A 201 (-4.7A)
APR  A 201 (-3.4A)
APR  A 201 (-3.4A)
APR  A 201 (-3.2A)
APR  A 201 ( 4.6A)
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.
1LWC_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		Nevirapine5 / 11
LEU A 109
VAL A  95
VAL A  77
GLY A  79
TYR A 113
1.68A17.06
None
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.
4OTW_A_DB8A1101_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3)		Bosutinib5 / 12
LEU B 169
VAL B  16
THR B  13
LEU B 140
ASP B 145
1.48A20.06
None
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.
2QO5_A_CHDA131_0
(LIVER-BASIC FATTY
ACID BINDING PROTEIN)		Cholic Acid5 / 12
ILE B  18
LEU B  10
VAL B  16
THR B  13
LEU B 169
1.48A20.11
None
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.
3NDW_A_RITA100_1
(PROTEASE)		Ritonavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.29A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
4MXX_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Bosutinib5 / 12
LEU B 126
ALA B 129
VAL B 100
ILE B 131
LEU B 109
1.49A20.62
APR  B 201 (-4.8A)
APR  B 201 (-3.6A)
None
APR  B 201 (-3.2A)
None
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.
1NP1_B_HSMB304_1
(NITROPHORIN 1)		Histamine3 / 3
ASP B 105
LEU B 109
LEU B 108
1.07A23.67
None
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.
4NJV_A_RITA500_1
(PROTEASE)		Ritonavir5 / 12
ASP A  22
ASP A 157
VAL A 155
GLY A  48
PRO A 125
1.42A18.50
APR  A 201 (-3.5A)
None
APR  A 201 ( 4.6A)
APR  A 201 (-3.4A)
None
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.
4MXO_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Bosutinib5 / 12
LEU B 153
VAL B 151
ALA B 124
VAL B  95
LEU B 127
1.39A20.62
None
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.
3EM6_A_017A200_2
(PROTEASE)		Darunavir5 / 12
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.33A18.50
None
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.
1GWR_A_ESTA600_1
(OESTROGEN RECEPTOR)		Estradiol5 / 10
LEU A 153
ALA A 154
LEU A 123
LEU A 122
LEU A  53
1.64A23.44
None
APR  A 201 (-4.5A)
None
None
None
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.
5CYM_A_T27A601_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Rilpivirine5 / 12
LEU B 126
VAL B 144
VAL B 151
PHE B 168
LEU B 164
1.59A17.13
APR  B 201 (-4.8A)
None
None
None
None
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.
1NR6_A_DIFA501_1
(CYTOCHROME P450 2C5)		Diclofenac5 / 9
LEU B  93
ALA B  39
GLY B  79
LEU B 127
PHE B 116
1.27A18.63
None
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.
4Y8W_A_STRA604_1
(CYTOCHROME P450
21-HYDROXYLASE)		Progesterone5 / 12
SER B 139
VAL B  49
GLY B 130
VAL B 100
LEU B 109
1.48A19.18
None
APR  B 201 (-3.6A)
APR  B 201 (-3.4A)
None
None
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.
5T7B_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 7
LEU B  10
TYR B   9
LYS B  19
LEU A  10
1.38A12.68
None
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.
3GGU_B_017B201_1
(PROTEASE)		Darunavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.36A19.88
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
3RFA_B_SAMB406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		S-Adenosylmethionine5 / 12
PHE A 116
CYH A 143
PRO A 136
SER A 128
VAL A  36
1.59A17.08
None
None
None
APR  A 201 (-4.4A)
None
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.
4J5J_B_478B401_1
(PROTEASE)		Amprenavir5 / 8
LEU A 126
ALA A  38
ASN A  37
GLY A  48
VAL A 155
1.38A18.71
APR  A 201 (-4.7A)
APR  A 201 (-3.4A)
None
APR  A 201 (-3.4A)
APR  A 201 ( 4.6A)
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.
3UNI_B_SALB1345_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid5 / 8
PHE A 116
THR A 146
VAL A 142
LEU A 109
ALA A 112
1.68A9.13
None
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.
5KI6_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 5
LEU B  10
TYR B   9
LYS B  19
LEU A  10
1.40A12.68
None
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.
1LQU_A_ACTA1428_0
(FPRA)		Acetic acid4 / 7
PHE B 116
PRO B 125
ALA B 112
SER B 128
1.15A17.11
None
None
None
APR  B 201 (-4.4A)
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.
4LG1_A_SAMA301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		S-Adenosylmethionine5 / 12
ALA A  50
GLY A  97
LEU A 109
ALA A  39
GLU A 114
1.57A23.28
APR  A 201 ( 3.7A)
None
None
None
None
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.
1RL8_A_RITA9001_1
(PROTEASE RETROPEPSIN)		Ritonavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.21A17.92
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
3ELZ_A_CHDA151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid4 / 7
TYR B  68
GLY B  73
VAL B  96
LEU B  83
1.16A23.20
None
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.
5GPG_A_RAPA301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP3)		Sirolimus5 / 11
TYR A 113
LEU A 109
ALA A 154
ILE A  23
PHE A 116
1.74A24.42
None
None
APR  A 201 (-4.5A)
APR  A 201 (-4.0A)
None
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.
1N13_D_AG2D7015_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		Agmatine4 / 7
LEU B  93
LEU B  83
LEU B  75
GLY B  79
1.42A19.88
18.34
None
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.
1MX1_C_THAC3_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 12
THR B  13
VAL B  16
LEU B  12
LEU B 153
LEU B 109
1.32A16.04
None
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.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		Galantamine5 / 12
ASP A 105
GLY A  79
GLY A  78
GLY A  97
PHE A 132
1.62A13.78
None
None
None
None
APR  A 201 (-3.4A)
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.
3OCT_A_1N1A663_1
(TYROSINE-PROTEIN
KINASE BTK)		Dasatinib5 / 12
LEU A 153
VAL A 151
ALA A 124
VAL A  95
LEU A 127
1.43A22.22
None
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.
3MIH_A_CUA358_0
(PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE)		Copper3 / 3
HIS A  94
HIS A  45
MET A  61
1.39A20.20
None
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.
1P93_C_DEXC3999_1
(GLUCOCORTICOID
RECEPTOR)		Betamethasone5 / 12
ASN B 117
LEU B  93
LEU B 127
CYH B 143
THR B 146
1.73A20.00
None
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.
3UR0_C_SVRC516_1
(RNA-DEPENDENT RNA
POLYMERASE)		Suramin5 / 9
PRO B 136
GLY B 130
ALA B 129
ALA B  38
LEU B 109
1.69A14.87
None
APR  B 201 (-3.4A)
APR  B 201 (-3.6A)
APR  B 201 (-3.4A)
None
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.
5DXB_A_ESTA1000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU A  53
ALA A  27
GLU A  26
LEU A 123
HIS A  94
1.73A21.65
None
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.
4WRY_A_URFA302_1
(URACIL-DNA
GLYCOSYLASE)		Fluorouracil5 / 8
GLY A  79
TYR A 113
SER A 111
SER A 128
ASN A 115
1.71A21.51
None
None
None
APR  A 201 (-4.4A)
None
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_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Chloroquine5 / 12
GLY B  46
GLY B  51
ASN B  37
PHE B 132
ILE B 131
1.46A21.54
APR  B 201 (-3.7A)
None
None
APR  B 201 (-3.5A)
APR  B 201 (-3.2A)
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.
3LZS_A_017A200_1
(HIV-1 PROTEASE)		Darunavir5 / 12
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.25A19.30
None
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.
1P6K_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Acetic acid4 / 6
GLN A 118
VAL A  95
ALA A 112
SER A 111
1.33A18.62
None
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.
2C49_B_ADNB1301_1
(SUGAR KINASE MJ0406)		Adenosine4 / 7
HIS B  45
ALA B  50
GLY B  47
GLY B  46
1.14A20.52
None
APR  B 201 (-3.6A)
APR  B 201 (-4.3A)
APR  B 201 (-3.7A)
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.
3K4V_B_ROCB201_3
(HIV-1 PROTEASE)		Saquinavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.15A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
3MSS_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
LEU B 153
VAL B 151
ALA B 124
LEU B 127
ALA B 112
1.39A23.91
None
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.
2GJ5_A_VD3A163_1
(BETA-LACTOGLOBULIN)		Cholecalciferol6 / 12
LEU B 153
VAL B 151
VAL B 121
LEU B 122
ALA B  38
PHE B   6
1.65A25.84
None
None
None
None
APR  B 201 (-3.4A)
None
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.
2F81_A_017A302_2
(POL POLYPROTEIN)		Darunavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.21A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
5M8R_C_MMSC516_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		Mimosine5 / 8
ASN B  87
HIS B  86
LEU B  88
GLY B  85
SER B  84
1.72A17.33
None
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.
6CZM_E_HISE402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		L-Histidine5 / 9
VAL A  35
LEU A  43
LEU A  83
VAL A  95
CYH A  81
1.32A21.26
None
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.
1IKE_A_HSMA190_1
(NITROPHORIN 4)		Histamine3 / 3
ASP B 105
LEU B 109
LEU B 108
1.07A23.65
None
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.
1FKO_A_EFZA999_1
(HIV-1 RT, A-CHAIN)		Efavirenz5 / 10
LEU A 109
ASN A 115
VAL A  95
GLY A  79
TYR A 113
1.51A17.36
None
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.
3GWX_A_EPAA1_1
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		Icosapent5 / 10
VAL A 147
LEU A  93
VAL A  95
VAL A  36
LEU A 122
1.23A21.72
None
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.
5ZV2_B_LEVB801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		Lenvatinib5 / 12
LEU B 153
VAL B 151
ALA B 124
VAL B  36
ALA B 112
1.23A20.71
None
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.
5T2Z_B_017B201_1
(PROTEASE)		Darunavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.34A18.97
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
1LWF_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		Nevirapine5 / 9
LEU A 109
VAL A  95
VAL A  77
GLY A  79
TYR A 113
1.74A17.25
None
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.
6HD6_B_STIB601_0
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
LEU B 153
VAL B 151
ALA B 124
VAL B  95
LEU B 127
1.20A23.91
None
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.
4MK4_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 8
PRO B  98
VAL B 100
VAL B  95
GLY B  79
1.30A19.27
None
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.
1XKK_A_FMMA91_2
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Lapatinib5 / 9
LEU A  83
VAL A  82
LEU A 127
LEU A  43
LEU A 122
1.53A24.71
None
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.
2BM9_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine6 / 12
GLY A  85
LEU A  88
GLY A  51
ASN A  54
ALA A  50
ALA A  38
1.51A21.65
None
None
None
None
APR  A 201 ( 3.7A)
APR  A 201 (-3.4A)
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.
6EUQ_A_DXCA502_0
(MULTIDRUG
TRANSPORTER MDFA)		Deoxycholic Acid5 / 11
ASP A  22
LEU A  53
GLN A  62
LEU A  88
MET A  61
1.76A16.87
APR  A 201 (-3.5A)
None
None
None
None
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.
5XPR_A_K86A1201_1
(ENDOTHELIN B
RECEPTOR,ENDOLYSIN,E
NDOTHELIN B RECEPTOR)		Bosentan5 / 12
VAL A  49
LEU A 127
LEU A 153
ILE A  18
ALA A 154
1.73A16.49
APR  A 201 (-3.7A)
None
None
None
APR  A 201 (-4.5A)
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.
6FDY_U_DB8U301_1
(-)		Bosutinib5 / 11
LEU A 153
VAL A 151
ALA A 124
VAL A  95
LEU A 127
1.42A21.32
None
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.
2BR4_D_SAMD301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine5 / 12
LEU B  12
LEU B 140
SER B 139
ALA B 154
ALA B  21
1.46A19.91
None
None
None
APR  B 201 (-4.5A)
None
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.
5HPU_A_IPHA101_0
(INSULIN, CHAIN A
INSULIN, CHAIN B)		Phenol4 / 4
CYH B  81
LEU B  43
LEU B  75
ALA B  39
1.40A9.33
11.18
None
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.
2PYM_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		Nelfinavir5 / 12
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.28A18.71
None
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.
1QZZ_A_SAMA635_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		S-Adenosylmethionine5 / 12
GLY B  48
GLY B  47
GLY B  46
ASP B  22
ASN B  37
1.42A19.21
APR  B 201 (-3.4A)
APR  B 201 (-4.3A)
APR  B 201 (-3.7A)
APR  B 201 (-3.4A)
None
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.
3S56_A_ROCA201_1
(PROTEASE)		Saquinavir5 / 12
ASP B 157
GLY B 130
ILE B 131
PRO B 125
ILE B  23
1.17A18.50
None
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
APR  B 201 (-4.0A)
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.
3PP7_B_SVRB499_1
(PYRUVATE KINASE)		Suramin5 / 10
THR A  57
ASN A  54
HIS A  45
GLY A  46
GLY A  85
1.37A16.60
None
None
None
APR  A 201 (-3.7A)
None
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.
3OGP_B_017B200_1
(FIV PROTEASE)		Darunavir5 / 10
LEU A 126
ALA A  38
GLY A  46
ILE A 131
VAL A 155
1.49A18.18
APR  A 201 (-4.7A)
APR  A 201 (-3.4A)
APR  A 201 (-3.7A)
APR  A 201 (-3.2A)
APR  A 201 ( 4.6A)
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.
4AGC_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Axitinib5 / 12
LEU B 153
VAL B 151
ALA B 124
VAL B  36
LEU B 127
1.40A19.59
None
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.
4DQE_B_017B101_2
(ASPARTYL PROTEASE)		Darunavir5 / 10
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.38A18.82
None
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.
1CMA_B_SAMB105_0
(PROTEIN (MET
REPRESSOR))		S-Adenosylmethionine5 / 11
GLU B 104
LEU B 109
ALA B 134
PHE B 132
GLY B 130
1.66A21.79
None
None
None
APR  B 201 (-3.5A)
APR  B 201 (-3.4A)
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.
3KU1_H_SAMH226_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU B 164
ASP B 157
GLY B  47
ALA B 129
ILE B 131
1.35A23.66
None
None
APR  B 201 (-4.3A)
APR  B 201 (-3.6A)
APR  B 201 (-3.2A)
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.
3SM2_A_478A126_2
(GAG-PRO-POL
POLYPROTEIN)		Amprenavir5 / 11
ALA B  38
HIS B  94
VAL B  95
ALA B 154
LEU B 127
1.47A21.97
APR  B 201 (-3.4A)
None
None
APR  B 201 (-4.5A)
None
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.
4O1E_B_C2FB4000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		Levomefolic acid6 / 12
ASN B  37
LEU B 109
GLY B  79
SER B  80
ASN B 115
ASN B  72
1.70A20.41
None
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.
5YNI_A_SAMA401_0
(NSP16 PROTEIN)		S-Adenosylmethionine5 / 12
GLY A 130
PRO A  98
GLY A  97
LEU A 160
ASP A 157
1.73A20.19
APR  A 201 (-3.3A)
None
None
None
None
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.
3UNC_A_SALA1338_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid5 / 9
PHE A 116
THR A 146
VAL A 142
LEU A 109
ALA A 112
1.69A9.13
None
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.
5D4U_C_SAMC301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		S-Adenosylmethionine5 / 12
GLY A  48
HIS A  45
LEU A  53
ILE A  23
GLY A 133
1.40A19.20
APR  A 201 (-3.4A)
None
None
APR  A 201 (-4.0A)
None
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.
1FO4_A_SALA3005_1
(XANTHINE
DEHYDROGENASE)		Salicylic acid5 / 9
PHE A 116
THR A 146
VAL A 142
LEU A 109
ALA A 112
1.70A9.13
None
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.
3OU6_D_SAMD300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU B  75
ALA B 112
GLY B  79
SER B  80
LEU B 108
1.73A21.05
None
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.
3PWM_B_017B402_2
(PROTEASE)		Darunavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.25A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
3S8P_A_SAMA500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		S-Adenosylmethionine3 / 3
HIS B  45
SER B  84
GLU B  64
1.78A21.48
None
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.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		Galantamine5 / 12
ASP A 105
GLY A  79
GLY A  78
GLY A  97
PHE A 132
1.63A14.18
None
None
None
None
APR  A 201 (-3.4A)
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.
1PCG_A_ESTA1_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU B 127
LEU B 122
LEU B  93
ILE B  23
LEU B 153
1.69A22.58
None
None
None
APR  B 201 (-4.0A)
None
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.
5X6Y_A_SAMA902_0
(MRNA CAPPING ENZYME
P5)		S-Adenosylmethionine5 / 12
LEU B 123
PRO B 125
ALA B 124
PRO B 136
PHE B 168
1.45A12.38
None
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.
2Q5K_A_AB1A201_2
(PROTEASE)		Lopinavir5 / 12
ASP A  22
ASP A 157
VAL A 155
GLY A  48
PRO A 125
1.38A17.92
APR  A 201 (-3.5A)
None
APR  A 201 ( 4.6A)
APR  A 201 (-3.4A)
None
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.
2P02_A_SAMA2_0
(S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
PRO B 136
LYS B 163
SER B 166
ASP B 135
1.58A18.77
None
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.
2AVO_B_MK1B902_2
(POL POLYPROTEIN)		Indinavir5 / 12
ASP A  22
ASP A 157
VAL A 155
GLY A  48
PRO A 125
1.30A16.76
APR  A 201 (-3.5A)
None
APR  A 201 ( 4.6A)
APR  A 201 (-3.4A)
None
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.
4B3O_A_EFZA1557_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Efavirenz5 / 9
LEU B 109
LYS B 110
VAL B  95
GLY B  79
TYR B 113
1.48A17.06
None
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.
5ZV2_A_LEVA801_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		Lenvatinib5 / 12
LEU B 153
VAL B 151
ALA B 124
VAL B  36
ALA B 112
1.20A20.71
None
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.
3OXW_D_017D200_2
(HIV-1 PROTEASE)		Darunavir5 / 10
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.34A19.89
None
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.
1Q6I_A_FK5A301_1
(FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA)		Tacrolimus5 / 9
TYR A 113
LEU A 109
VAL A  96
ILE A  23
PHE A 116
1.38A24.77
None
None
None
APR  A 201 (-4.0A)
None
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.
4Y8W_C_STRC603_1
(CYTOCHROME P450
21-HYDROXYLASE)		Progesterone6 / 12
SER B 139
VAL B  49
ILE B  23
GLY B 130
VAL B 100
LEU B 109
1.56A19.18
None
APR  B 201 (-3.6A)
APR  B 201 (-4.0A)
APR  B 201 (-3.4A)
None
None
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.
6DGX_A_017A101_0
(PROTEASE)		Darunavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.20A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
3MWS_B_017B201_2
(HIV-1 PROTEASE)		Darunavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.24A19.30
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
6CHG_C_SAMC1101_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-4 SPECIFIC)		S-Adenosylmethionine5 / 12
HIS A  45
ASN A  54
ASN A  37
LEU A  83
LEU A  75
1.45A19.02
None
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.
2NNP_A_ROCA401_2
(PROTEASE)		Saquinavir5 / 11
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.41A19.08
None
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.
5OY0_B_PQNB841_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		Phylloquinone5 / 11
ILE A 137
PHE A 116
ILE A  23
ALA A 154
LEU A 153
1.64A13.40
None
None
APR  A 201 (-4.0A)
APR  A 201 (-4.5A)
None
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.
3JQA_A_DX4A270_0
(PTERIDINE REDUCTASE
1)		Tioguanine4 / 6
SER B   7
PHE B   6
TYR B   9
PRO B  32
1.48A22.87
None
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.
4DQH_B_017B101_1
(WILD-TYPE HIV-1
PROTEASE DIMER)		Darunavir5 / 11
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.32A18.82
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
4RTB_A_SAMA501_0
(HYDG PROTEIN)		S-Adenosylmethionine5 / 12
LEU B 169
PHE B 168
LEU B 164
LEU B 160
ALA B 129
1.51A16.81
None
None
None
None
APR  B 201 (-3.6A)
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.
3NDU_D_ROCD100_1
(PROTEASE)		Saquinavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.12A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
1EE2_A_CHDA1150_0
(ALCOHOL
DEHYDROGENASE)		Cholic Acid5 / 11
SER A  65
LEU A  83
LEU A 127
SER A  80
LEU A  75
1.41A20.43
None
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.
3U9F_S_CLMS221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 12
SER B  65
SER B  84
LEU B  88
VAL B  24
VAL B  35
1.52A21.00
None
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.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)		Acetic acid4 / 7
GLY B  97
ALA B  39
ALA B  38
PHE B 132
1.21A15.61
None
None
APR  B 201 (-3.4A)
APR  B 201 (-3.5A)
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.
2QHC_B_AB1B9001_1
(PROTEASE RETROPEPSIN)		Lopinavir5 / 11
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.16A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
3NU5_B_478B401_1
(PROTEASE)		Amprenavir6 / 12
GLY A 130
ALA A 129
ASP A 135
ILE A 106
GLY A  97
VAL A  96
1.75A18.50
APR  A 201 (-3.3A)
APR  A 201 (-3.6A)
None
None
None
None
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.
3GWX_B_EPAB3_2
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		Icosapent5 / 12
LEU A 153
LEU A  93
VAL A  95
VAL A  36
LEU A 122
1.33A21.72
None
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.
5YNM_A_SAMA401_0
(NSP16 PROTEIN)		S-Adenosylmethionine5 / 12
GLY A 130
PRO A  98
GLY A  97
LEU A 160
ASP A 157
1.71A20.19
APR  A 201 (-3.3A)
None
None
None
None
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.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		Degraded Cephaloridine5 / 12
ALA A  50
TYR A  68
SER A  65
ASN A  37
ALA A  39
1.65A23.60
APR  A 201 ( 3.7A)
None
None
None
None
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.
4DU2_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT B7)		Dopamine5 / 7
ALA B  52
ALA B  27
ALA B  56
LEU B  53
THR B  57
1.78A17.99
APR  B 201 ( 4.0A)
None
None
None
None
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.
4BVA_B_T3B1314_1
(THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE)		Liothyronine5 / 12
VAL A  95
GLY A  79
VAL A  77
SER A 128
PRO A 125
1.70A20.93
None
None
None
APR  A 201 (-4.4A)
None
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.
3TEH_B_DAHB786_1
(PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN)		Levodopa4 / 7
LEU A  93
GLY A  97
ALA A  38
PHE A 132
1.39A12.42
None
None
APR  A 201 (-3.4A)
APR  A 201 (-3.4A)
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.
2VH3_A_DAHA2_1
(RANASMURFIN)		Levodopa5 / 9
ALA A 124
SER A 128
PHE A 132
GLY A 130
ALA A  38
1.74A20.23
None
APR  A 201 (-4.4A)
APR  A 201 (-3.4A)
APR  A 201 (-3.3A)
APR  A 201 (-3.4A)
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.
3JVY_B_017B401_1
(GAG-POL POLYPROTEIN)		Darunavir5 / 12
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.18A18.50
None
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.
3UUD_A_ESTA600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
ALA B 124
LEU B 127
LEU B 126
GLY B  48
LEU B  53
1.64A23.05
None
None
APR  B 201 (-4.8A)
APR  B 201 (-3.4A)
None
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.
4K50_A_ACTA506_0
(RNA POLYMERASE
3D-POL)		Acetic acid3 / 3
VAL B  95
GLY B  78
LYS B  76
1.32A16.95
None
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.
3UJ7_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU B 127
ILE B  23
GLY B  48
ILE B 131
ALA B  50
1.43A20.37
None
APR  B 201 (-4.0A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
APR  B 201 (-3.6A)
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.
3AX7_B_SALB1336_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid5 / 9
PHE A 116
THR A 146
VAL A 142
LEU A 109
ALA A 112
1.74A9.13
None
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.
1RG9_A_SAMA385_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)		S-Adenosylmethionine4 / 8
PRO B 136
LYS B 163
SER B 166
ASP B 135
1.63A18.54
None
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.
3QIP_A_NVPA561_1
(REVERSE HIV-1
REVERSE
TRANSCRIPTASE P66)		Nevirapine5 / 10
LEU A 109
VAL A  95
VAL A  77
GLY A  79
TYR A 113
1.72A17.06
None
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.
3FL9_E_TOPE200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		Trimethoprim5 / 10
LEU B 126
LEU B 153
VAL B 151
ILE B  23
LEU B 123
1.48A21.65
APR  B 201 (-4.8A)
None
None
APR  B 201 (-4.0A)
None
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.
4M83_A_ERYA1400_0
(OLEANDOMYCIN
GLYCOSYLTRANSFERASE)		Erythromycin5 / 11
ASN A 101
VAL A 100
PHE A 132
LEU A 160
SER A 139
1.69A19.02
None
None
APR  A 201 (-3.4A)
None
None
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.
3OXW_B_017B200_2
(HIV-1 PROTEASE)		Darunavir5 / 10
ASP A  22
ASP A 157
VAL A 155
GLY A  48
PRO A 125
1.40A19.89
APR  A 201 (-3.5A)
None
APR  A 201 ( 4.6A)
APR  A 201 (-3.4A)
None
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.
6BSJ_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT)		Efavirenz5 / 10
LEU A 109
VAL A  95
VAL A  77
GLY A  79
TYR A 113
1.63A17.06
None
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		Cyproterone acetate5 / 12
LEU B  43
ASN B  40
LEU B  75
MET B  61
ALA B  50
1.40A22.57
None
APR  B 201 (-3.8A)
None
None
APR  B 201 (-3.6A)
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.
4WS1_A_URFA301_1
(URACIL-DNA
GLYCOSYLASE)		Fluorouracil5 / 8
GLY A  79
TYR A 113
SER A 111
SER A 128
ASN A 115
1.73A21.51
None
None
None
APR  A 201 (-4.4A)
None
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)		S-Adenosylmethionine5 / 12
GLY A  97
LEU A  75
GLY A  79
ASN A 115
ALA A 134
1.41A21.55
None
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.
5ZV2_A_LEVA801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		Lenvatinib3 / 3
LYS B 163
LEU B 126
ASP B 135
1.21A20.71
None
APR  B 201 (-4.8A)
None
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.
3BVB_B_017B401_2
(PROTEASE
(RETROPEPSIN))		Darunavir5 / 12
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.23A18.50
None
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.
3MSS_D_STID1_2
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 6
VAL B 100
VAL B  49
VAL B  96
ILE B 131
1.57A23.91
None
APR  B 201 (-3.6A)
None
APR  B 201 (-3.2A)
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.
3OXW_B_017B200_1
(HIV-1 PROTEASE)		Darunavir5 / 10
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.32A19.89
None
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.
5Z0L_B_DAHB98_0
(MELC
TYROSINASE)		Levodopa5 / 11
HIS B  45
ASN B  37
HIS B  94
VAL B  95
PRO B 125
1.50A19.72
21.84
None
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.
1HK2_A_T44A3004_1
(SERUM ALBUMIN)		Levothyroxine4 / 7
PHE A 116
ALA A 124
LEU A 153
VAL A  16
1.22A14.58
None
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.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		Dihomo-gamma-linolenic acid5 / 12
LEU A 160
GLY A 133
ALA A 134
GLY A  97
LEU A 127
1.56A15.34
None
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.
4MXZ_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Bosutinib5 / 12
LEU A 153
VAL A 151
ALA A 124
VAL A  95
LEU A 127
1.41A20.62
None
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.
1LWE_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		Nevirapine4 / 7
LEU B 109
VAL B  95
GLY B  79
TYR B 113
1.38A17.06
None
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.
2BXG_A_IBPA2001_1
(SERUM ALBUMIN)		Ibuprofen5 / 11
ASN B  40
VAL B  95
GLY B  97
ALA B  38
SER B  65
1.50A14.58
APR  B 201 (-3.8A)
None
None
APR  B 201 (-3.4A)
None
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.
1HXW_B_RITB301_2
(HIV-1 PROTEASE)		Ritonavir5 / 11
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.30A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
4K36_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		S-Adenosylmethionine5 / 12
GLU B 104
ASN B  99
SER B 128
LEU B 127
LEU B  53
1.60A20.10
None
None
APR  B 201 (-4.4A)
None
None
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.
3SXJ_A_SAMA258_0
(PUTATIVE
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU B  43
SER B  65
MET B  61
ALA B  50
ASN B  37
1.40A20.83
None
None
None
APR  B 201 (-3.6A)
None
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.
3UT5_B_LOCB502_1
(TUBULIN BETA CHAIN)		Colchicine5 / 12
ALA B  39
LEU B 127
ASN B 115
ALA B 124
ILE B  23
1.51A18.02
None
None
None
None
APR  B 201 (-4.0A)
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.
2Z54_A_AB1A200_1
(HIV-1 PROTEASE)		Lopinavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.15A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
5KQY_B_017B101_1
(PROTEASE E35D-DRV)		Darunavir5 / 12
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.21A18.50
None
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.
5X6Y_B_SAMB901_0
(MRNA CAPPING ENZYME
P5)		S-Adenosylmethionine5 / 10
VAL B  49
GLY B  48
ASP B  22
LEU B  53
ASN B  54
1.70A12.38
APR  B 201 (-3.6A)
APR  B 201 (-3.4A)
APR  B 201 (-3.4A)
None
None
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.
5H2U_C_1N1C501_1
(PROTEIN-TYROSINE
KINASE 6)		Dasatinib5 / 12
ALA A 129
ILE A 137
GLY A  97
GLU A 104
LEU A 109
1.38A23.92
APR  A 201 (-3.6A)
None
None
None
None
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.
5G44_A_YTZA1512_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		Sulfathiazole5 / 9
LEU A 126
LEU A 153
ALA A 112
VAL A  95
ALA A 124
1.68A21.25
APR  A 201 (-4.7A)
None
None
None
None
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.
3CSJ_B_CBLB211_0
(GLUTATHIONE
S-TRANSFERASE P)		Chlorambucil5 / 9
PHE B 132
PRO B  98
VAL B 100
GLY B 103
GLY B 133
1.73A21.97
APR  B 201 (-3.5A)
None
None
None
None
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.
5HV1_A_RFPA902_1
(PHOSPHOENOLPYRUVATE
SYNTHASE)		Rifampicin5 / 12
VAL A 147
PRO A 125
ALA A 124
VAL A 151
LEU A  12
1.41A12.05
None
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.
1UAK_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B  47
ILE B  23
LEU B  53
GLY B  51
GLY B  48
1.30A22.56
APR  B 201 (-4.3A)
APR  B 201 (-4.0A)
None
None
APR  B 201 (-3.4A)
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.
4LG1_B_SAMB301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		S-Adenosylmethionine5 / 12
ALA A  50
GLY A  97
LEU A 109
ALA A  39
GLU A 114
1.55A23.28
APR  A 201 ( 3.7A)
None
None
None
None
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.
4V01_B_0LIB1770_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		Ponatinib5 / 12
GLU A 114
VAL A 142
ALA A 134
LEU A  93
ALA A 112
1.30A21.70
None
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.
11GS_A_EAAA211_1
(GLUTATHIONE
S-TRANSFERASE)		Etacrynic acid4 / 7
TYR A 113
PHE A 116
VAL A 147
ILE A  18
1.28A21.97
None
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.
2F8G_B_017B401_1
(POL POLYPROTEIN)		Darunavir5 / 12
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.37A18.50
None
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.
6B5V_A_ECLA1001_1
(TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5)		Econazole5 / 7
PHE A 116
LEU A  93
CYH A  81
ILE A  69
ALA A 112
1.76A12.83
None
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.
4JEC_B_478B401_3
(HIV-1 PROTEASE)		Amprenavir3 / 3
ASP B  66
LEU B  83
VAL B  96
1.06A18.50
None
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.
5KBW_A_RBFA201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin5 / 12
GLU A 114
LEU A 109
GLY A  78
ASN A 115
ALA A  38
1.60A24.74
None
None
None
None
APR  A 201 (-3.4A)
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.
3BVB_B_017B401_1
(PROTEASE
(RETROPEPSIN))		Darunavir5 / 12
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.20A18.50
None
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.
6FBO_A_ADNA406_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		Adenosine4 / 8
PRO B 136
LYS B 163
SER B 166
ASP B 135
1.55A19.02
None
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.
3S54_B_017B201_1
(PROTEASE)		Darunavir5 / 12
ASP B 157
GLY B 130
ILE B 131
PRO B 125
ILE B  23
1.25A18.50
None
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
APR  B 201 (-4.0A)
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.
4OR0_B_NPSB603_1
(SERUM ALBUMIN)		Naproxen5 / 11
LEU B 140
SER B 139
VAL B 151
LEU B  12
LEU B 126
1.60A15.37
None
None
None
None
APR  B 201 (-4.8A)
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.
5G6S_C_RAUC400_1
(IMINE REDUCTASE)		Rasagiline5 / 12
SER A  80
GLY A  73
VAL A  95
LEU A  43
TYR A  68
1.71A22.73
None
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.
6G9I_B_CXXB707_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN)		Clomipramine5 / 7
ILE A 137
VAL A 155
LEU A 164
LEU A 140
LEU A 160
1.59A19.94
21.99
None
APR  A 201 ( 4.6A)
None
None
None
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.
4ANS_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		Crizotinib5 / 9
LEU B 153
VAL B 151
ALA B 124
LEU B 127
ALA B 112
1.42A19.51
None
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		Cefamandole4 / 8
LEU B 164
ALA B  21
GLY B 130
PRO B 136
1.22A21.25
None
None
APR  B 201 (-3.4A)
None
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.
5ESK_A_1YNA701_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole4 / 4
ALA A  52
PRO A 125
LEU A  93
HIS A  94
1.41A18.11
APR  A 201 ( 4.1A)
None
None
None
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.
2G72_A_SAMA2001_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 6
TYR B 152
TYR B  17
GLY B   8
TYR A  17
1.61A20.48
None
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.
2PYN_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		Nelfinavir5 / 12
LEU A 126
ALA A  38
ASN A  37
GLY A  47
VAL A 155
1.29A17.92
APR  A 201 (-4.7A)
APR  A 201 (-3.4A)
None
EDO  A 202 (-3.8A)
APR  A 201 ( 4.6A)
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.
3TKG_C_ROCC901_2
(PROTEASE)		Saquinavir5 / 12
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.27A19.65
None
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.
1C6Z_B_ROCB505_1
(PROTEIN (PROTEASE))		Saquinavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.20A16.76
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
3LZU_A_017A200_1
(HIV-1 PROTEASE)		Darunavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.27A19.30
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
3NUJ_B_478B401_1
(PROTEASE)		Amprenavir5 / 10
ASP A  22
ASP A 157
VAL A 155
GLY A  48
PRO A 125
1.42A18.50
APR  A 201 (-3.5A)
None
APR  A 201 ( 4.6A)
APR  A 201 (-3.4A)
None
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.
5C0O_G_SAMG301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		S-Adenosylmethionine5 / 12
ALA B 134
PRO B 136
LEU B 140
ALA B 112
GLU B 114
1.45A22.83
None
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.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		Aminosalicylic Acid4 / 6
LEU B 153
VAL B 151
LEU B 122
VAL B 147
1.17A20.88
None
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.
1YAJ_D_BEZD2385_0
(CES1 PROTEIN)		Benzoic Acid5 / 5
LEU A 160
SER A 167
LEU A 153
LEU A  10
LEU A 126
1.75A15.98
None
None
None
None
APR  A 201 (-4.7A)
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.
3OI8_A_ADNA2_1
(UNCHARACTERIZED
PROTEIN)		Adenosine4 / 6
ILE B  23
PRO B  32
LEU B 123
ASP B  22
1.27A22.16
APR  B 201 (-4.0A)
None
None
APR  B 201 (-3.4A)
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.
3QXY_B_SAMB6735_0
(N-LYSINE
METHYLTRANSFERASE
SETD6
TRANSCRIPTION FACTOR
P65)		S-Adenosylmethionine5 / 11
VAL A  49
ALA A  50
GLY A  46
ALA A  60
ASN A  37
1.72A16.74
4.73
APR  A 201 (-3.7A)
APR  A 201 ( 3.7A)
APR  A 201 (-3.7A)
None
None
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.
4K39_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		S-Adenosylmethionine5 / 12
GLU B 104
ASN B  99
SER B 128
LEU B 127
LEU B  53
1.41A22.32
None
None
APR  B 201 (-4.4A)
None
None
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.
5G6S_D_RAUD400_1
(IMINE REDUCTASE)		Rasagiline5 / 10
VAL A  95
LEU A  43
TYR A  68
SER A  80
GLY A  73
1.71A22.73
None
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.
6DH6_A_017A104_1
(PROTEASE)		Darunavir6 / 12
ASP B  22
ASP B 157
VAL B 155
GLY B  48
LEU B 160
PRO B 125
1.64A19.08
APR  B 201 (-3.4A)
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
None
None
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.
3LZV_A_017A200_1
(HIV-1 PROTEASE)		Darunavir5 / 10
LEU A 126
ALA A  38
ASN A  37
GLY A  47
VAL A 155
1.36A16.96
APR  A 201 (-4.7A)
APR  A 201 (-3.4A)
None
EDO  A 202 (-3.8A)
APR  A 201 ( 4.6A)
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.
4N48_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		S-Adenosylmethionine4 / 5
ASN B 115
ALA B 112
GLY B  78
ASP B  66
1.40A18.54
None
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.
4NJV_A_RITA500_2
(PROTEASE)		Ritonavir5 / 11
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.31A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
4XEY_A_1N1A601_1
(TYROSINE-PROTEIN
KINASE ABL1)		Dasatinib6 / 12
LEU B 153
VAL B 151
ALA B 124
VAL B  95
LEU B 127
ALA B 112
1.51A20.40
None
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.
4UYM_B_VORB590_1
(14-ALPHA STEROL
DEMETHYLASE)		Voriconazole4 / 7
PHE A 116
ALA A 124
ILE A  18
LEU A 126
1.30A17.13
None
None
None
APR  A 201 (-4.7A)
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.
1LW0_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		Nevirapine5 / 10
LEU A 109
VAL A  95
VAL A  77
GLY A  79
TYR A 113
1.68A17.06
None
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.
4OQR_A_2UOA502_1
(CYP105AS1)		Mevastatin5 / 9
VAL B  49
ILE B 106
VAL B 100
VAL B  95
ALA B  38
1.45A18.10
APR  B 201 (-3.6A)
None
None
None
APR  B 201 (-3.4A)
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.
3U9F_R_CLMR221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 10
SER B  65
SER B  84
LEU B  88
VAL B  24
VAL B  35
1.46A21.00
None
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.
3EM3_B_478B200_2
(PROTEASE)		Amprenavir5 / 10
ASP A  22
ASP A 157
VAL A 155
GLY A  48
PRO A 125
1.41A18.50
APR  A 201 (-3.5A)
None
APR  A 201 ( 4.6A)
APR  A 201 (-3.4A)
None
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.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		Galantamine5 / 12
ASP A 105
GLY A  79
GLY A  78
GLY A  97
PHE A 132
1.64A14.18
None
None
None
None
APR  A 201 (-3.4A)
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.
5CYQ_A_T27A601_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Rilpivirine5 / 12
LEU B 126
VAL B 144
VAL B 151
PHE B 168
LEU B 164
1.59A17.13
APR  B 201 (-4.8A)
None
None
None
None
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.
1OPJ_A_STIA3_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Imatinib6 / 12
LEU B 153
VAL B 151
ALA B 124
VAL B  95
LEU B 127
ALA B 112
1.31A23.91
None
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.
3C6M_A_SPMA501_1
(SPERMINE SYNTHASE)		Spermine5 / 11
VAL A 121
ASN A 150
TYR A  17
ASP B  14
TYR A 152
1.75A18.50
None
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.
5PHH_A_LDPA414_1
(LYSINE-SPECIFIC
DEMETHYLASE 4D)		Dopamine4 / 6
ALA B 129
LEU B 126
TYR B 113
SER B 128
1.68A20.94
APR  B 201 (-3.6A)
APR  B 201 (-4.8A)
None
APR  B 201 (-4.4A)
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.
1S9P_C_DESC500_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		Diethylstilbestrol5 / 12
LEU B 127
ALA B 129
VAL B 142
TYR B 113
ILE B  23
1.40A21.70
None
APR  B 201 (-3.6A)
None
None
APR  B 201 (-4.0A)
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.
4O33_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		Terazosin5 / 12
ALA A  39
GLY A  46
LEU A  53
GLY A  48
VAL A  49
1.28A18.86
None
APR  A 201 (-3.7A)
None
APR  A 201 (-3.4A)
APR  A 201 (-3.7A)
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.
5KC4_E_RBFE201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin5 / 12
GLU A 114
LEU A 109
GLY A  78
ASN A 115
ALA A  38
1.61A24.74
None
None
None
None
APR  A 201 (-3.4A)
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.
3MIY_B_B49B2_1
(TYROSINE-PROTEIN
KINASE ITK/TSK)		Sunitinib5 / 9
ILE A 131
ALA A  38
PHE A 132
GLY A 133
SER A 139
1.69A21.11
APR  A 201 (-3.2A)
APR  A 201 (-3.4A)
APR  A 201 (-3.4A)
None
None
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.
3VT7_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
TYR A   9
LEU A 123
VAL A  35
VAL A  49
HIS A  94
1.71A20.97
None
None
None
APR  A 201 (-3.7A)
None
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.
6B82_A_AERA602_1
(CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1)		Abiraterone5 / 11
LEU B  93
VAL B 151
THR B 146
VAL B 142
SER B 139
1.46A15.15
None
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.
2Q0I_A_BEZA990_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)		Benzoic Acid4 / 8
GLU A  64
SER A  65
LEU A  43
HIS A  94
1.23A19.05
None
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.
1H1D_A_SAMA301_0
(CATECHOL-O-METHYLTRA
NSFERASE)		S-Adenosylmethionine5 / 12
ASN B  37
VAL B  36
GLY B  78
ASN B  99
GLN B 107
1.77A20.44
None
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.
5DZK_R_BEZR801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		Benzoic Acid4 / 8
SER A 128
ALA A 134
LEU A 109
LEU A 108
1.47A22.81
1.79
APR  A 201 (-4.4A)
None
None
None
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.
5KC0_A_RBFA303_1
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin5 / 12
GLU A 114
LEU A 109
GLY A  78
ASN A 115
ALA A  38
1.63A23.98
None
None
None
None
APR  A 201 (-3.4A)
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.
6BQG_A_ERMA1201_2
(5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562)		Ergotamine4 / 5
VAL A  49
LEU A 127
VAL A 147
LEU A 140
1.34A17.99
APR  A 201 (-3.7A)
None
None
None
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.
2HNY_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Nevirapine5 / 10
LEU A 109
VAL A  95
VAL A  77
GLY A  79
TYR A 113
1.68A17.15
None
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		L-Cysteine4 / 8
ALA B  52
HIS B  94
ASN B  37
THR B  57
1.71A20.15
APR  B 201 ( 4.0A)
None
None
None
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.
3BRF_A_SORA2_0
(LIN-12 AND GLP-1
PHENOTYPE PROTEIN 1,
ISOFORM A)		Sorbitol3 / 3
LYS A   4
LYS A  31
VAL A  30
1.41A15.56
None
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.
6ELI_A_T27A701_1
(REVERSE
TRANSCRIPTASE)		Rilpivirine5 / 12
LEU B 126
VAL B 144
VAL B 151
PHE B 168
LEU B 164
1.60A17.13
APR  B 201 (-4.8A)
None
None
None
None
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.
5M50_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL B  34
HIS B 119
THR B 146
PRO B 125
LEU B 127
1.76A18.94
None
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.
3LXK_A_MI1A1125_1
(TYROSINE-PROTEIN
KINASE JAK3)		Tofacitinib5 / 12
LEU B  53
GLY B  51
VAL B  49
VAL B  95
ALA B  39
1.33A20.00
None
None
APR  B 201 (-3.6A)
None
None
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.
1GSE_B_EAAB224_1
(GLUTATHIONE
TRANSFERASE)		Etacrynic acid5 / 12
GLY B  79
LEU B  93
VAL B  36
LEU B 127
PHE B 116
1.42A20.50
None
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		Amitriptyline5 / 12
PHE B 132
VAL B  77
PHE B 116
LEU B  93
ALA B  50
1.74A17.89
APR  B 201 (-3.5A)
None
None
None
APR  B 201 (-3.6A)
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.
3N8X_A_NIMA701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		Nimesulide3 / 3
VAL A  82
SER A  80
LEU A  93
1.24A15.23
None
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.
1NT2_A_SAMA301_0
(FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN)		S-Adenosylmethionine5 / 12
GLY B  97
ALA B 112
SER B 111
SER B  80
ALA B  39
1.59A22.33
None
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.
4ZVM_A_DM2A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Epirubicin5 / 12
GLY A  46
GLY A  51
ASN A  37
PHE A 132
ILE A 131
1.65A21.81
APR  A 201 (-3.7A)
None
None
APR  A 201 (-3.4A)
APR  A 201 (-3.2A)
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.
4OLM_A_198A1001_1
(ANDROGEN RECEPTOR)		Bicalutamide5 / 12
LEU B  88
GLY B  85
LEU B  83
VAL B  36
HIS B  45
1.74A22.71
None
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.
1FDU_A_ESTA351_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		Estradiol5 / 12
GLY B  97
LEU B 127
GLY B  79
LEU B 122
VAL B 151
1.18A20.38
None
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.
3NU3_B_478B401_2
(PROTEASE)		Amprenavir5 / 11
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.28A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
1VPO_H_TESH1010_1
(ANTI-TESTOSTERONE
(HEAVY CHAIN)
ANTI-TESTOSTERONE
(LIGHT CHAIN))		Testosterone5 / 12
SER B 139
ALA B 134
GLY B 130
VAL B  36
PRO B 125
1.13A22.83
20.64
None
None
APR  B 201 (-3.4A)
None
None
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.
3EKT_D_017D200_1
(PROTEASE)		Darunavir5 / 11
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.28A17.51
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
1UKB_A_BEZA1301_0
(2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE)		Benzoic Acid4 / 6
ARG B 141
LEU B 126
ALA B 129
LEU B 164
1.43A21.82
None
APR  B 201 (-4.8A)
APR  B 201 (-3.6A)
None
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.
4LTW_A_486A303_1
(ANCESTRAL STEROID
RECEPTOR 2)		Mifepristone5 / 9
LEU A 127
ALA A 124
LEU A  93
GLN A 118
PHE A 116
1.63A20.24
None
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.
1MJQ_C_SAMC199_0
(METHIONINE REPRESSOR)		S-Adenosylmethionine5 / 10
GLU B 104
LEU B 109
ALA B 134
PHE B 132
GLY B 130
1.71A21.74
None
None
None
APR  B 201 (-3.5A)
APR  B 201 (-3.4A)
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.
3FW3_A_ETSA302_1
(CARBONIC ANHYDRASE 4)		Dorzolamide5 / 12
HIS A 138
VAL A  16
ILE A  18
VAL A 151
LEU A 126
1.58A23.74
None
None
None
None
APR  A 201 (-4.7A)
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.
5DXG_B_ESTB601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU A 153
ALA A 154
LEU A 123
LEU A 122
LEU A  53
1.62A21.65
None
APR  A 201 (-4.5A)
None
None
None
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.
2JN3_A_JN3A130_1
(FATTY ACID-BINDING
PROTEIN, LIVER)		Ursodeoxycholic acid5 / 12
LEU B 126
LEU B 127
THR B 146
ILE B  18
LEU B 164
1.48A20.36
APR  B 201 (-4.8A)
None
None
None
None
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.
5UUN_A_ACTA307_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid4 / 4
LEU A  83
LEU A  43
SER A  80
ALA A  39
1.26A20.55
None
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.
3EKP_B_478B200_2
(PROTEASE)		Amprenavir5 / 10
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.29A17.51
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
2H42_B_VIAB902_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Sildenafil5 / 12
ASN B 115
ILE B  69
VAL B  96
ALA B  38
LEU B  93
1.61A19.18
None
None
None
APR  B 201 (-3.4A)
None
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.
3EKT_B_017B200_2
(PROTEASE)		Darunavir5 / 9
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.34A17.51
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
3AX7_A_SALA1336_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid5 / 8
PHE A 116
THR A 146
VAL A 142
LEU A 109
ALA A 112
1.69A9.13
None
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.
4QWP_A_GCSA301_1
(CHITOSANASE)		Glucosamine3 / 3
TYR B  42
GLY B  73
PRO B  74
1.16A21.12
None
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.
4MMB_A_SREA603_1
(TRANSPORTER)		Sertraline5 / 9
PRO A  98
VAL A  96
ALA A 112
GLY A 130
PHE A 132
1.64A15.64
None
None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.4A)
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.
3GVU_A_STIA1002_1
(TYROSINE-PROTEIN
KINASE ABL2)		Imatinib5 / 8
VAL A  34
LEU A 123
LEU A 122
ALA A 154
PRO A 125
1.35A22.03
None
None
None
APR  A 201 (-4.5A)
None
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.
4MXX_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Bosutinib5 / 12
LEU B 153
VAL B 151
ALA B 124
VAL B  95
LEU B 127
1.36A20.62
None
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.
5BVW_A_1N1A1009_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Dasatinib5 / 12
ALA B  39
GLU B  64
ILE B  69
GLY B  79
LEU B  75
1.27A20.44
None
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.
1Q23_L_FUAL710_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Fusidic Acid5 / 11
SER B  65
SER B  84
LEU B  88
VAL B  24
VAL B  35
1.54A21.00
None
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.
6C2M_D_SUED1202_0
(NS3 PROTEASE)		Grazoprevir5 / 12
GLN B  62
VAL B  82
ILE B 131
GLY B  51
ALA B  38
1.43A25.24
None
None
APR  B 201 (-3.2A)
None
APR  B 201 (-3.4A)
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.
3APW_A_DP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		Disopyramide5 / 12
VAL B 100
ILE B 106
PHE B 116
ALA B  39
SER B 128
1.61A17.89
None
None
None
None
APR  B 201 (-4.4A)
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.
6BSG_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT)		Efavirenz5 / 10
LEU A 109
VAL A  95
VAL A  77
GLY A  79
TYR A 113
1.68A17.06
None
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.
4XDR_A_ADNA402_1
(FAD:PROTEIN FMN
TRANSFERASE)		Adenosine5 / 12
VAL B 100
GLY B 130
ALA B 129
ILE B 106
VAL B 142
1.02A20.82
None
APR  B 201 (-3.4A)
APR  B 201 (-3.6A)
None
None
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.
3LP0_A_NVPA701_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Nevirapine5 / 9
LEU A 109
VAL A  95
VAL A  77
GLY A  79
TYR A 113
1.67A15.89
None
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_D_SAMD301_0
(PUTATIVE
METHYLTRANSFERASE
BUD23)		S-Adenosylmethionine5 / 12
TYR A 113
GLY A  97
ILE A 131
ILE A 106
ALA A 134
1.54A22.60
None
None
APR  A 201 (-3.2A)
None
None
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.
4XI3_C_29SC601_1
(ESTROGEN RECEPTOR)		Bazedoxifene5 / 12
LEU A 153
ALA A 154
LEU A 123
LEU A 122
LEU A  53
1.28A23.02
None
APR  A 201 (-4.5A)
None
None
None
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.
4WBO_B_ANWB601_0
(RHODOPSIN KINASE)		Amlexanox5 / 8
LEU A  53
ALA A  38
LEU A  93
SER A  80
ALA A  89
1.71A16.34
None
APR  A 201 (-3.4A)
None
None
None
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.
1HSH_C_MK1C402_2
(HIV-II PROTEASE)		Indinavir4 / 8
GLY A 130
ILE A 131
PRO A 125
ILE A  23
0.93A21.02
APR  A 201 (-3.3A)
APR  A 201 (-3.2A)
None
APR  A 201 (-4.0A)
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.
1YA4_A_CTXA1_1
(CES1 PROTEIN)		Tamoxifen5 / 12
ALA A  38
GLY A  79
GLY A  78
SER A 139
LEU A 108
1.28A15.98
APR  A 201 (-3.4A)
None
None
None
None
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.
3FUP_B_MI1B1_1
(TYROSINE-PROTEIN
KINASE JAK2)		Tofacitinib5 / 12
ALA A 129
VAL A 155
LEU A 140
LEU A 164
ASP A 157
1.35A19.79
APR  A 201 (-3.6A)
APR  A 201 ( 4.6A)
None
None
None
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		Ergocalciferol5 / 12
LEU A 164
ALA A 134
ALA A  38
VAL A  49
ILE A 137
1.36A17.95
None
None
APR  A 201 (-3.4A)
APR  A 201 (-3.7A)
None
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_A_SAMA501_0
(MNMC2)		S-Adenosylmethionine5 / 12
GLY A  79
GLY A  78
LEU A 108
GLU A 114
LEU A  93
1.64A21.55
None
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.
2F81_A_017A302_1
(POL POLYPROTEIN)		Darunavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.27A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
2XAD_E_GCSE710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		Glucosamine4 / 8
ASP A  66
SER A  65
ILE A  69
HIS A  45
1.34A21.20
None
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.
5X6Y_C_SAMC902_0
(MRNA CAPPING ENZYME
P5)		S-Adenosylmethionine5 / 12
LEU B 123
PRO B 125
ALA B 124
PRO B 136
PHE B 168
1.38A12.38
None
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.
4DQC_A_017A101_1
(ASPARTYL PROTEASE)		Darunavir5 / 10
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.31A18.82
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
3MED_A_65BA561_0
(P51 REVERSE
TRANSCRIPTASE
P66 REVERSE
TRANSCRIPTASE)		Etravirine5 / 12
LEU A 109
ASN A 115
VAL A  95
GLY A  79
TYR A 113
1.60A17.25
18.10
None
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.
3N8Z_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Flurbiprofen5 / 12
VAL B 147
VAL B  36
LEU B 122
GLY B  97
ALA B 112
1.53A15.23
None
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.
2NXE_A_SAMA302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine6 / 12
GLY B  51
LEU B  83
LEU B  53
ILE B  69
ASN B  37
LEU B  75
1.58A21.43
None
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.
3GCS_A_BAXA401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		Sorafenib5 / 12
VAL B  24
ALA B  56
LEU B  83
THR B  57
ILE B  69
1.13A19.94
None
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.
3G89_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		S-Adenosylmethionine5 / 11
GLY A  51
ALA A  56
THR A  57
GLU A  25
ALA A  38
1.56A22.40
None
None
None
None
APR  A 201 (-3.4A)
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.
2E1Q_D_SALD5006_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid4 / 5
PHE B 116
THR B 146
LEU B 109
ALA B 112
1.73A9.08
None
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.
5GS4_A_ESTA603_1
(ESTROGEN RECEPTOR)		Estradiol5 / 12
LEU B 123
ALA B 154
LEU B  53
GLY B 130
LEU B 126
1.61A23.44
None
APR  B 201 (-4.5A)
None
APR  B 201 (-3.4A)
APR  B 201 (-4.8A)
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.
4GC9_A_SAMA401_0
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		S-Adenosylmethionine5 / 12
LEU A  43
GLY A  48
GLY A  46
ASN A  37
VAL A  24
1.32A20.29
None
APR  A 201 (-3.4A)
APR  A 201 (-3.7A)
None
None
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.
5OH1_C_9UQC202_0
(CEREBLON ISOFORM 4)		Aminoglutethimide4 / 8
ASN B   4
PRO B  32
GLU B  26
TYR B  17
1.75A15.93
None
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.
1YAJ_A_BEZA11_0
(CES1 PROTEIN)		Benzoic Acid4 / 4
LEU A 160
SER A 167
LEU A 153
LEU A 126
1.72A15.98
None
None
None
APR  A 201 (-4.7A)
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.
3OGP_A_017A200_2
(FIV PROTEASE)		Darunavir5 / 10
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.42A18.18
None
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.
3G5D_A_1N1A1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Dasatinib6 / 12
LEU B 153
VAL B 151
ALA B 124
VAL B  95
LEU B 127
ALA B 112
1.49A20.62
None
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.
4Q1W_A_017A104_2
(ASPARTYL PROTEASE)		Darunavir5 / 10
ASP B  22
ASP B 157
VAL B 155
GLY B  48
PRO B 125
1.56A17.92
APR  B 201 (-3.4A)
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
None
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.
3OY4_B_017B200_1
(HIV-1 PROTEASE)		Darunavir5 / 11
LEU A  83
ALA A  39
VAL A  36
GLY A  78
VAL A  82
1.45A19.89
None
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.
1G50_C_ESTC2600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU A  88
GLU A  25
MET A  61
GLY A  51
HIS A  45
1.57A22.69
None
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.
1QYX_A_ASDA500_1
(ESTRADIOL 17
BETA-DEHYDROGENASE 1)		4-Androstenedione5 / 9
VAL A  95
PRO A 125
SER A 139
PHE A 116
VAL A 142
1.59A20.38
None
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.
2Z0Y_A_SAMA300_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0657)		S-Adenosylmethionine5 / 9
ALA A  38
VAL A  49
GLY A  48
LEU A 127
LEU A 126
1.24A23.48
APR  A 201 (-3.4A)
APR  A 201 (-3.7A)
APR  A 201 (-3.4A)
None
APR  A 201 (-4.7A)
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.
1HRK_A_CHDA1502_0
(FERROCHELATASE)		Cholic Acid4 / 8
LEU B 122
PRO B  98
VAL B  95
GLY B  79
1.41A19.27
None
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.
1KGL_A_RTLA175_0
(CELLULAR
RETINOL-BINDING
PROTEIN TYPE I)		Vitamin A5 / 12
ALA B  39
PRO B 125
PHE B 132
GLY B  78
LEU B 122
1.33A23.03
None
None
APR  B 201 (-3.5A)
None
None
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.
3G8B_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		S-Adenosylmethionine5 / 12
GLY A  51
ALA A  56
THR A  57
GLU A  25
ALA A  38
1.52A22.40
None
None
None
None
APR  A 201 (-3.4A)
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.
5M66_C_ADNC502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
THR B 149
GLU B 114
LEU B 127
0.95A15.75
None
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.
1HSH_C_MK1C402_1
(HIV-II PROTEASE)		Indinavir5 / 12
ASP B 157
GLY B 130
ILE B 131
PRO B 125
ILE B  23
1.28A21.02
None
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
APR  B 201 (-4.0A)
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.
1HSG_B_MK1B902_1
(HIV-1 PROTEASE)		Indinavir5 / 10
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.44A18.50
None
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.
3U9F_M_CLMM221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 10
SER A 139
TYR A 113
VAL A  35
VAL A  49
PHE A 116
1.72A21.00
None
None
None
APR  A 201 (-3.7A)
None
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.
6BSD_A_1N1A901_0
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Dasatinib5 / 12
ALA B  39
GLU B  64
ILE B  69
GLY B  79
LEU B  75
1.26A10.57
None
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.
4NDN_A_SAMA407_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
PRO B 136
LYS B 163
SER B 166
ASP B 135
1.59A18.77
None
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.
1T6Z_A_RBFA296_1
(RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE)		Riboflavin5 / 11
THR B 146
VAL B  95
ASN B 115
GLU B 114
LEU B 122
1.60A21.46
None
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.
2QHC_B_AB1B9001_2
(PROTEASE RETROPEPSIN)		Lopinavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.11A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		Disopyramide5 / 12
VAL B 100
ILE B 106
PHE B 116
ALA B  39
SER B 128
1.67A17.89
None
None
None
None
APR  B 201 (-4.4A)
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.
5G6S_F_RAUF400_1
(IMINE REDUCTASE)		Rasagiline5 / 10
SER A  80
GLY A  73
VAL A  95
LEU A  43
TYR A  68
1.75A22.73
None
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.
6DGX_A_017A101_1
(PROTEASE)		Darunavir5 / 12
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.27A18.50
None
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.
1N4F_A_ASRA140_0
(LYSOZYME C)		Arsanilic acid3 / 3
ASN A  54
ALA A  56
ASN A  87
1.35A18.44
None
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.
3V1N_A_BEZA288_0
(2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE)		Benzoic Acid5 / 8
GLY B 130
GLY B 133
SER B 128
GLY B  97
ILE B 106
1.10A21.09
APR  B 201 (-3.4A)
None
APR  B 201 (-4.4A)
None
None
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.
2AVV_A_MK1A901_3
(POL POLYPROTEIN)		Indinavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.21A16.11
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
1XDK_B_9CRB600_2
(RETINOIC ACID
RECEPTOR, BETA)		Alitretinoin3 / 3
LEU A  12
PHE A 168
ARG A 148
1.06A17.70
None
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.
4PUO_A_NVPA901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Nevirapine5 / 9
PRO A 125
VAL A 121
VAL A 147
LEU A 123
TYR A   9
1.77A17.16
None
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.
1SDV_B_MK1B902_2
(PROTEASE RETROPEPSIN)		Indinavir5 / 11
ASP A  22
ASP A 157
VAL A 155
GLY A  48
PRO A 125
1.16A17.34
APR  A 201 (-3.5A)
None
APR  A 201 ( 4.6A)
APR  A 201 (-3.4A)
None
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.
2Q7I_A_TESA205_1
(ANDROGEN RECEPTOR)		Testosterone5 / 12
LEU B  43
ASN B  40
LEU B  75
VAL B  36
MET B  61
1.69A21.89
None
APR  B 201 (-3.8A)
None
None
None
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.
3N8Z_B_FLPB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Flurbiprofen5 / 12
VAL B 147
TYR B 113
TYR B  17
ALA B 124
LEU B 122
1.53A15.23
None
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.
6BQG_A_ERMA1201_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562)		Ergotamine5 / 12
GLY A  97
ALA A  38
PHE A 116
ASN A  15
VAL A 151
1.26A17.99
None
APR  A 201 (-3.4A)
None
None
None
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.
5A1I_A_ADNA407_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		Adenosine4 / 8
PRO B 136
LYS B 163
SER B 166
ASP B 135
1.57A18.77
None
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.
6HU9_E_PCFE202_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL
CYTOCHROME C OXIDASE
SUBUNIT 1)		Colfosceril palmitate4 / 8
GLN A  62
ILE A 131
ALA A  38
VAL A  95
1.40A16.50
23.70
None
APR  A 201 (-3.2A)
APR  A 201 (-3.4A)
None
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.
3MEG_A_T27A561_1
(P66 REVERSE
TRANSCRIPTASE)		Rilpivirine5 / 12
LEU B 126
VAL B 144
VAL B 151
PHE B 168
LEU B 164
1.66A17.25
APR  B 201 (-4.8A)
None
None
None
None
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.
3HEG_A_BAXA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		Sorafenib5 / 12
VAL B  24
ALA B  56
LEU B  83
THR B  57
ILE B  69
1.11A19.60
None
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.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		Argatroban5 / 12
LEU A 160
LEU A 127
ALA A  38
GLY A 130
GLY A  48
1.38A20.20
None
None
APR  A 201 (-3.4A)
APR  A 201 (-3.3A)
APR  A 201 (-3.4A)
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		Ribociclib5 / 12
VAL B 151
ALA B 124
VAL B  95
LEU B 127
ALA B 112
1.36A21.82
None
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.
1P7L_C_SAMC685_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)		S-Adenosylmethionine4 / 8
PRO B 136
LYS B 163
SER B 166
ASP B 135
1.59A18.54
None
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.
6F6N_A_SREA508_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		Sertraline6 / 10
ILE B 137
VAL B 155
ALA B 154
LEU B 164
LEU B 140
LEU B 160
1.67A21.92
21.99
None
APR  B 201 ( 4.8A)
APR  B 201 (-4.5A)
None
None
None
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.
6DRX_A_H8GA1201_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		Lisuride5 / 12
LEU A  93
VAL A  35
ALA A  27
PHE A   6
ASN A   4
1.50A16.46
None
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.
3KPD_B_SAMB1000_1
(UNCHARACTERIZED
PROTEIN MJ0100)		S-Adenosylmethionine3 / 3
ASN B 117
ASN B 150
GLU B 120
1.55A19.54
None
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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		Fludrocortisone5 / 12
LEU B  43
ASN B  40
LEU B  75
MET B  61
ALA B  50
1.38A22.39
None
APR  B 201 (-3.8A)
None
None
APR  B 201 (-3.6A)
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.
2EUF_B_LQQB401_1
(CELL DIVISION
PROTEIN KINASE 6)		Palbociclib5 / 12
VAL A 100
THR A 146
LEU A 109
ALA A 134
ASP A 135
1.27A21.32
None
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.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		Delavirdine5 / 11
LEU A 140
VAL A 155
TYR A 161
LEU A 153
PRO A 125
1.58A17.06
None
APR  A 201 ( 4.6A)
None
None
None
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.
4TWP_A_AXIA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		Axitinib5 / 12
LEU B 153
VAL B 151
ALA B 124
LEU B 127
ALA B 112
1.49A23.97
None
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.
3OXX_A_DR7A100_1
(HIV-1 PROTEASE)		Atazanavir5 / 12
GLY A 133
ALA A 134
GLY A  97
VAL A  96
PRO A 125
1.36A19.89
None
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		Menadione4 / 6
PHE B 132
GLY B  46
GLY B  51
ASN B  37
1.32A21.81
APR  B 201 (-3.5A)
APR  B 201 (-3.7A)
None
None
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.
1HXB_A_ROCA100_3
(HIV-1 PROTEASE)		Saquinavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.14A19.08
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
6F6S_B_CXQB705_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		Benzatropine4 / 6
VAL B  16
LEU B 140
LEU B 126
TYR B   9
1.35A21.92
21.99
None
None
APR  B 201 (-4.8A)
None
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.
1XBB_A_STIA1_1
(TYROSINE-PROTEIN
KINASE SYK)		Imatinib5 / 9
LEU B 153
VAL B 151
ALA B 124
ALA B  38
LEU B 127
1.64A22.30
None
None
None
APR  B 201 (-3.4A)
None
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.
1E7C_A_HLTA4008_1
(SERUM ALBUMIN)		Halothane4 / 8
ALA A  27
LEU A 123
ALA A 154
LYS A  19
1.09A14.58
None
None
APR  A 201 (-4.5A)
None
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.
4M2V_A_BZ1A302_2
(CARBONIC ANHYDRASE 2)		Brinzolamide3 / 3
HIS A 138
VAL A 155
LEU A 164
1.19A22.02
None
APR  A 201 ( 4.6A)
None
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.
3JW2_A_017A401_1
(GAG-POL POLYPROTEIN)		Darunavir5 / 12
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.20A18.50
None
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.
3UCB_A_017A201_1
(PROTEASE)		Darunavir5 / 12
LEU B 127
GLY B 130
ASN B  99
GLY B  46
VAL B  95
1.30A18.71
None
APR  B 201 (-3.4A)
None
APR  B 201 (-3.7A)
None
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.
3UA5_A_06XA501_1
(CYTOCHROME P450 2B6)		Amlodipine5 / 8
ILE B 106
SER B  80
GLU B 114
THR B 146
VAL B  95
1.59A15.63
None
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.
1MJQ_G_SAMG199_0
(METHIONINE REPRESSOR)		S-Adenosylmethionine5 / 10
GLU B 104
LEU B 109
ALA B 134
PHE B 132
GLY B 130
1.67A21.74
None
None
None
APR  B 201 (-3.5A)
APR  B 201 (-3.4A)
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.
2AZX_A_TRPA602_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		L-Tryptophan4 / 8
PHE B 168
LEU B 140
ILE B 137
HIS B 138
1.29A15.43
None
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.
3QLG_A_1N1A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Dasatinib6 / 12
LEU B 153
VAL B 151
ALA B 124
VAL B  95
LEU B 127
ALA B 112
1.40A20.62
None
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.
2BPX_B_MK1B902_1
(HIV-1 PROTEASE)		Indinavir5 / 8
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.31A18.50
None
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.
5TUD_A_ERMA2001_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2B,SOLUBLE
CYTOCHROME B562
CHIMERA)		Ergotamine6 / 12
VAL B  34
VAL B 147
ALA B  89
LEU B 126
LEU B 127
VAL B  95
1.48A16.67
None
None
None
APR  B 201 (-4.8A)
None
None
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.
3QXT_A_MTXA2000_1
(ANTI-METHOTREXATE
CDR1-3 GRAFT VHH)		Methotrexate5 / 12
VAL B  77
ALA B 112
ASN B 115
VAL B  36
ALA B  39
1.69A19.34
None
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.
3ERD_B_DESB800_1
(ESTROGEN RECEPTOR
ALPHA)		Diethylstilbestrol5 / 10
GLU B 114
LEU B 122
ARG B 148
HIS B  91
LEU B  93
1.76A22.05
None
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.
4OT2_A_NPSA601_1
(SERUM ALBUMIN)		Naproxen5 / 12
ASN A  37
VAL A  96
SER A  80
LEU A  75
SER A  65
1.59A15.03
None
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.
2PYM_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		Nelfinavir5 / 12
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.28A18.71
None
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.
2O4P_A_TPVA300_2
(PROTEASE)		Tipranavir5 / 9
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.35A18.50
None
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.
5D75_A_FK5A301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP3)		Tacrolimus5 / 11
TYR A 113
LEU A 109
ALA A 154
ILE A  23
PHE A 116
1.68A23.43
None
None
APR  A 201 (-4.5A)
APR  A 201 (-4.0A)
None
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.
6CZM_F_HISF402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		L-Histidine5 / 10
VAL A  35
LEU A  43
LEU A  83
VAL A  95
CYH A  81
1.35A21.26
None
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.
3EL5_B_1UNB201_1
(PROTEASE)		Nelfinavir5 / 10
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.16A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
5GHZ_A_CEDA301_1
(BETA-LACTAMASE)		Degraded Cephaloridine5 / 11
ALA A  50
TYR A  68
SER A  65
ASN A  37
ALA A  39
1.72A23.60
APR  A 201 ( 3.7A)
None
None
None
None
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.
3U9F_P_CLMP221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 9
SER B  65
SER B  84
LEU B  88
VAL B  24
VAL B  35
1.46A21.00
None
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.
5E4D_B_BEZB202_0
(HYDROXYNITRILE LYASE)		Benzoic Acid4 / 7
VAL B 147
THR B 146
LEU B 122
VAL B  95
1.26A19.05
None
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.
5JGL_B_SAMB301_0
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine5 / 12
GLY B  79
ALA B 124
LEU B 153
ALA B  39
SER B 128
1.41A21.33
None
None
None
None
APR  B 201 (-4.4A)
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.
6B0L_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL B  82
HIS B 119
LEU B 122
THR B 146
GLY B  79
1.29A18.79
None
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.
3DOU_A_SAMA1_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		S-Adenosylmethionine5 / 12
ALA B  50
GLY B 130
GLY B  47
LEU B 160
ALA B 129
1.26A21.16
APR  B 201 (-3.6A)
APR  B 201 (-3.4A)
APR  B 201 (-4.3A)
None
APR  B 201 (-3.6A)
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.
3DFR_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU A  53
ALA A  89
LEU A 122
SER A  80
LEU A 127
1.48A22.63
None
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.
2HC4_A_VDXA525_1
(VITAMIN D RECEPTOR)		Calcitriol5 / 12
LEU B  93
VAL B  95
SER B  80
VAL B 151
LEU B 126
1.20A22.35
None
None
None
None
APR  B 201 (-4.8A)
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.
4Q1X_A_017A101_1
(ASPARTYL PROTEASE)		Darunavir6 / 11
LEU A 126
ALA A  38
ILE A  23
GLY A  48
ILE A 131
VAL A 155
1.69A19.79
APR  A 201 (-4.7A)
APR  A 201 (-3.4A)
APR  A 201 (-4.0A)
APR  A 201 (-3.4A)
APR  A 201 (-3.2A)
APR  A 201 ( 4.6A)
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		Benzylpenicillin4 / 6
LEU A 127
GLY A  97
ALA A 124
PRO A 125
1.47A19.55
None
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.
3LSF_B_PZIB802_0
(GLUTAMATE RECEPTOR 2)		Piracetam3 / 3
SER A 166
ASP A 162
ASN A 159
1.65A19.78
None
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_C_RTLC201_0
(RETINOL-BINDING
PROTEIN 2)		Vitamin A5 / 12
ALA B  50
TYR B  68
SER B  65
LEU B  83
LEU B  93
1.78A23.12
APR  B 201 (-3.6A)
None
None
None
None
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.
3D20_A_017A201_1
(HIV-1 PROTEASE)		Darunavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.29A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
4V01_A_0LIA1776_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		Ponatinib5 / 12
ILE B  69
VAL B  77
ALA B 112
HIS B  45
ALA B  39
1.51A21.70
None
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.
5EML_A_SAMA701_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		S-Adenosylmethionine5 / 12
PRO A 125
LEU A 153
GLY A 130
LEU A 127
CYH A 143
1.57A14.78
None
None
APR  A 201 (-3.3A)
None
None
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.
3FHX_B_PXLB313_1
(PYRIDOXAL KINASE)		Pyridoxal4 / 8
SER A  80
VAL A  82
VAL A  95
HIS A  91
1.25A23.00
None
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.
4BVA_A_T3A1314_1
(THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE)		Liothyronine5 / 12
VAL A  95
GLY A  79
VAL A  77
SER A 128
PRO A 125
1.71A20.93
None
None
None
APR  A 201 (-4.4A)
None
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.
5VOP_B_C2FB3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		Levomefolic acid5 / 12
ASN B  40
LYS B  76
GLY B 130
SER B 128
ILE B 131
1.49A21.23
APR  B 201 (-3.8A)
None
APR  B 201 (-3.4A)
APR  B 201 (-4.4A)
APR  B 201 (-3.2A)
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.
3NU9_A_478A401_2
(PROTEASE)		Amprenavir5 / 10
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.35A19.08
None
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.
4K37_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		S-Adenosylmethionine5 / 11
GLU B 104
ASN B  99
SER B 128
LEU B 127
LEU B  53
1.57A22.32
None
None
APR  B 201 (-4.4A)
None
None
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.
6FNM_A_1N1A1001_1
(-)		Dasatinib5 / 12
ILE A  23
VAL A  35
GLU A  64
THR A  57
SER A  65
1.43A20.07
APR  A 201 (-4.0A)
None
None
None
None
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.
2KQT_C_308C1_1
(M2 PROTEIN)		Amantadine5 / 8
ALA B  38
ALA B 124
SER B 139
ALA B 129
SER B 128
1.63A10.18
APR  B 201 (-3.4A)
None
None
APR  B 201 (-3.6A)
APR  B 201 (-4.4A)
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.
3MNO_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		Betamethasone5 / 12
ASN B 117
VAL B  36
LEU B 127
CYH B 143
THR B 146
1.59A20.08
None
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.
2AYL_A_FLPA1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Flurbiprofen5 / 12
VAL A 155
LEU A 160
LEU A 153
GLY A 130
ALA A 129
1.56A15.23
APR  A 201 ( 4.6A)
None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.6A)
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.
3FL9_F_TOPF200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		Trimethoprim5 / 10
ALA A 112
LEU A 109
VAL A 147
ALA A 129
LEU A 153
1.53A21.65
None
None
None
APR  A 201 (-3.6A)
None
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.
3C6G_B_VD3B700_1
(CYTOCHROME P450 2R1)		Cholecalciferol5 / 12
LEU A 140
PHE A 116
ALA A 154
ALA A  38
VAL A  95
1.48A17.95
None
None
APR  A 201 (-4.5A)
APR  A 201 (-3.4A)
None
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.
1MJL_A_SAMA200_0
(METHIONINE REPRESSOR
PROTEIN METJ)		S-Adenosylmethionine5 / 11
ALA B  38
PHE B 132
GLU B 104
ALA B 134
LEU B 109
1.46A21.74
APR  B 201 (-3.4A)
APR  B 201 (-3.5A)
None
None
None
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.
1ITU_A_CILA451_1
(RENAL DIPEPTIDASE)		Cilastatin5 / 12
ASP B  66
HIS B  94
HIS B  45
ASN B  40
PRO B  74
1.75A23.55
None
None
None
APR  B 201 (-3.8A)
None
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.
5T8S_B_SAMB402_1
(S-ADENOSYLMETHIONINE
SYNTHASE)		S-Adenosylmethionine4 / 8
PRO B 136
LYS B 163
SER B 166
ASP B 135
1.58A18.27
None
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.
3UNA_A_SALA1340_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid5 / 9
PHE A 116
THR A 146
VAL A 142
LEU A 109
ALA A 112
1.68A9.13
None
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.
4DQF_B_017B101_1
(ASPARTYL PROTEASE)		Darunavir5 / 12
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.28A16.76
None
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.
4MXZ_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Bosutinib6 / 12
LEU B 153
VAL B 151
ALA B 124
VAL B  95
LEU B 127
ALA B 112
1.42A20.62
None
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.
2PYN_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		Nelfinavir5 / 12
LEU A 126
ALA A  38
ASN A  37
GLY A  47
VAL A 155
1.29A17.92
APR  A 201 (-4.7A)
APR  A 201 (-3.4A)
None
EDO  A 202 (-3.8A)
APR  A 201 ( 4.6A)
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.
1CMC_A_SAMA105_0
(MET REPRESSOR)		S-Adenosylmethionine5 / 10
ALA B 134
PHE B 132
GLY B 130
GLU B 104
LEU B 109
1.61A21.79
None
APR  B 201 (-3.5A)
APR  B 201 (-3.4A)
None
None
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.
5IMS_A_ACTA708_0
(ACETOLACTATE
SYNTHASE CATALYTIC
SUBUNIT,
MITOCHONDRIAL)		Acetic acid3 / 3
GLY A  46
GLY A  51
GLN A  62
0.90A14.55
APR  A 201 (-3.7A)
None
None
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.
3U9F_N_CLMN221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 11
SER B  65
SER B  84
LEU B  88
VAL B  24
VAL B  35
1.47A21.00
None
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.
5P9I_A_1E8A701_1
(TYROSINE-PROTEIN
KINASE BTK)		Ibrutinib5 / 12
GLY B 130
GLY B  97
ASN B  99
LEU B 109
SER B 139
1.41A22.42
APR  B 201 (-3.4A)
None
None
None
None
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.
1XDS_A_SAMA5635_0
(PROTEIN RDMB)		S-Adenosylmethionine5 / 12
GLY B  48
GLY B  47
GLY B  46
LEU B  53
ASP B  22
1.52A19.21
APR  B 201 (-3.4A)
APR  B 201 (-4.3A)
APR  B 201 (-3.7A)
None
APR  B 201 (-3.4A)
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.
5VCY_A_DB8A401_2
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		Bosutinib4 / 4
VAL A 155
LEU A 140
ASN A 159
ASP A 157
1.74A20.96
APR  A 201 ( 4.6A)
None
None
None
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.
1HSH_A_MK1A401_1
(HIV-II PROTEASE)		Indinavir5 / 12
ASP B 157
GLY B 130
ILE B 131
PRO B 125
ILE B  23
1.14A21.02
None
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
APR  B 201 (-4.0A)
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.
1G50_B_ESTB1600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 12
LEU A  88
GLU A  25
MET A  61
GLY A  51
HIS A  45
1.56A22.69
None
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.
1JG4_A_SAMA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 8
GLY A  48
ILE A  23
LEU A  53
ASP A 157
1.35A22.13
APR  A 201 (-3.4A)
APR  A 201 (-4.0A)
None
None
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.
3OY4_B_017B200_2
(HIV-1 PROTEASE)		Darunavir5 / 10
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.38A19.89
None
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.
2AOJ_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		Amphetamine4 / 5
LEU A  93
GLY A  97
PRO A 125
VAL A  36
1.39A18.50
None
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.
3ZOS_A_0LIA1004_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Ponatinib5 / 11
VAL B  36
LEU B  75
GLY B  78
VAL B 142
GLY B  97
1.21A20.83
None
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.
6EXI_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
LEU B  75
GLY B  78
PHE B 116
1.00A15.75
None
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.
1UDT_A_VIAA1000_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Sildenafil5 / 12
ASN B 115
ILE B  69
VAL B  96
ALA B  38
LEU B  93
1.57A19.18
None
None
None
APR  B 201 (-3.4A)
None
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.
2ZBP_A_SAMA300_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine6 / 12
GLY A  51
LEU A  83
LEU A  53
ILE A  69
ASN A  37
LEU A  75
1.68A21.43
None
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.
3UR0_B_SVRB516_1
(RNA-DEPENDENT RNA
POLYMERASE)		Suramin4 / 7
PRO A 136
GLY A 133
ALA A 129
ASP A 157
1.26A14.87
None
None
APR  A 201 (-3.6A)
None
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.
2IEN_B_017B402_2
(PROTEASE)		Darunavir5 / 12
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.24A18.50
None
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.
3G89_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		S-Adenosylmethionine5 / 12
GLY A  51
ALA A  56
THR A  57
GLU A  25
ALA A  38
1.55A22.40
None
None
None
None
APR  A 201 (-3.4A)
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.
3KP6_B_SALB3001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		Salicylic acid4 / 8
ASN B  37
HIS B  45
ASN B  40
ILE B 131
1.74A22.03
None
None
APR  B 201 (-3.8A)
APR  B 201 (-3.2A)
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.
4AG8_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Axitinib6 / 12
LEU B 153
VAL B 151
ALA B 124
VAL B  95
VAL B  36
LEU B 127
1.41A21.45
None
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.
3EYG_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE)		Tofacitinib5 / 12
LEU A  53
GLY A  51
GLY A  47
VAL A  49
ASN A  40
1.25A18.52
None
None
EDO  A 202 (-3.8A)
APR  A 201 (-3.7A)
APR  A 201 (-3.9A)
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.
5NEL_C_ACTC302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		Acetic acid4 / 6
HIS B  45
HIS B  86
LEU B  83
HIS B  94
1.71A23.87
None
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.
6FGC_A_D95A816_0
(GEPHYRIN)		Artesunate5 / 11
PHE A 132
ILE A 131
LEU A 127
PRO A  98
ILE A 106
1.76A18.77
APR  A 201 (-3.4A)
APR  A 201 (-3.2A)
None
None
None
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.
4ZN7_A_DESA601_1
(ESTROGEN RECEPTOR)		Diethylstilbestrol5 / 12
LEU A  88
GLU A  25
MET A  61
HIS A  94
LEU A 123
1.58A22.69
None
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.
3S53_A_017A201_1
(PROTEASE)		Darunavir5 / 9
GLY A  51
ALA A  52
ASP A  22
ILE A  23
ILE A 131
1.52A18.50
None
APR  A 201 ( 4.1A)
APR  A 201 (-3.5A)
APR  A 201 (-4.0A)
APR  A 201 (-3.2A)
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.
4Z4F_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 7
LEU B  10
TYR B   9
LYS B  19
LEU A  10
1.37A12.68
None
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.
5IKT_A_TLFA601_0
(PROSTAGLANDIN G/H
SYNTHASE 2)		Tolfenamic Acid5 / 12
VAL B  16
LEU B  53
VAL B  36
ALA B 124
LEU B 153
1.18A14.39
None
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.
1HXB_A_ROCA100_1
(HIV-1 PROTEASE)		Saquinavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.19A19.08
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
3RFA_A_SAMA406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		S-Adenosylmethionine5 / 12
PHE A 116
CYH A 143
PRO A 136
SER A 128
VAL A  36
1.62A17.08
None
None
None
APR  A 201 (-4.4A)
None
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.
3ELZ_B_CHDB152_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid3 / 3
ASN A 117
HIS A 119
VAL A  34
1.26A23.20
None
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.
2O4L_A_TPVA403_2
(PROTEASE)		Tipranavir5 / 12
LEU A  10
VAL A 155
VAL A 144
VAL A 165
ILE A  18
1.29A19.08
None
APR  A 201 ( 4.6A)
None
None
None
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.
5N5D_A_SAMA306_1
(METHYLTRANSFERASE)		S-Adenosylmethionine4 / 7
LEU B 108
SER B 139
ILE B 131
ASN B  40
1.38A23.88
None
None
APR  B 201 (-3.2A)
APR  B 201 (-3.8A)
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.
4NJU_A_TPVA500_1
(PROTEASE)		Tipranavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.30A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
4LL3_A_017A201_1
(PROTEASE)		Darunavir4 / 8
ASP B 157
VAL B 155
GLY B 130
PRO B 125
0.91A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
None
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.
4MM5_A_SREA603_1
(TRANSPORTER)		Sertraline5 / 9
PRO A  98
VAL A  96
ALA A 112
GLY A 130
PHE A 132
1.67A15.45
None
None
None
APR  A 201 (-3.3A)
APR  A 201 (-3.4A)
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.
3A2Q_A_ACAA602_1
(6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE)		Aminocaproic Acid4 / 7
ASN A 115
ALA A  39
ALA A  38
CYH A  81
1.26A16.35
None
None
APR  A 201 (-3.4A)
None
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.
4RS0_A_IBPA706_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Ibuprofen5 / 9
LEU B 169
SER B 167
LEU B 140
GLY A   8
LEU B  12
1.51A15.49
None
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.
4FEU_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 7
ASP A  14
ASP B  14
ASN B 150
GLU B 120
1.67A24.82
None
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.
3EKX_B_1UNB201_2
(PROTEASE)		Nelfinavir5 / 11
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.12A17.92
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
5UXD_B_ZITB501_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E MPHH)		Azithromycin5 / 12
ASP B  22
LEU B  12
VAL B  16
ALA B 129
GLY B 130
1.41A22.18
APR  B 201 (-3.4A)
None
None
APR  B 201 (-3.6A)
APR  B 201 (-3.4A)
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.
4DQB_B_017B101_2
(ASPARTYL PROTEASE)		Darunavir5 / 10
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.38A18.82
None
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.
5DX3_A_ESTA601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU B 153
ALA B 124
LEU B 127
GLY B  48
LEU B  53
1.59A21.65
None
None
None
APR  B 201 (-3.4A)
None
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.
3TKW_B_017B401_1
(PROTEASE)		Darunavir5 / 12
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.33A19.65
None
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.
1SA1_B_PODB700_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		Podofilox5 / 12
LEU A  12
LYS B  11
LEU A  10
VAL A 155
ALA A 154
1.37A17.19
18.79
None
None
None
APR  A 201 ( 4.6A)
APR  A 201 (-4.5A)
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.
1JLF_A_NVPA999_1
(HIV-1 RT A-CHAIN
HIV-1 RT B-CHAIN)		Nevirapine4 / 8
LEU B 109
VAL B  95
GLY B  79
TYR B 113
1.32A17.06
18.33
None
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		Quinine5 / 12
ALA B  38
SER B 128
GLY B  79
PHE B 116
LEU B 109
1.66A20.80
22.07
APR  B 201 (-3.4A)
APR  B 201 (-4.4A)
None
None
None
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.
2M9P_B_BEZB251_0
(SERINE PROTEASE
INHIBITOR
SERINE PROTEASE
SUBUNIT NS2B, SERINE
PROTEASE NS3)		Benzoic Acid3 / 3
VAL A  96
SER A  80
GLY A  79
1.06A22.89
None
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.
6DJ1_B_AB1B201_1
(HIV-1 PROTEASE)		Lopinavir5 / 12
ASP A  22
ASP A 157
VAL A 155
GLY A  48
PRO A 125
1.30A18.50
APR  A 201 (-3.5A)
None
APR  A 201 ( 4.6A)
APR  A 201 (-3.4A)
None
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.
3R9C_A_ECLA452_1
(CYTOCHROME P450
164A2)		Econazole6 / 12
PRO B 136
LEU B 109
LEU B 127
VAL B  36
LEU B 153
LEU B 122
1.41A18.05
None
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.
1RBP_A_RTLA183_0
(PLASMA
RETINOL-BINDING
PROTEIN PRECURSOR)		Vitamin A6 / 12
LEU A 160
ALA A  50
ALA A  39
ALA A  38
VAL A 155
LEU A 126
1.80A22.58
None
APR  A 201 ( 3.7A)
None
APR  A 201 (-3.4A)
APR  A 201 ( 4.6A)
APR  A 201 (-4.7A)
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.
5W4Z_B_RBFB502_1
(RIBOFLAVIN LYASE)		Riboflavin5 / 12
PHE A 116
ALA A 124
ALA A 154
GLY A  97
ALA A 112
1.09A15.87
None
None
APR  A 201 (-4.5A)
None
None
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.
3MEE_A_T27A561_1
(P66 REVERSE
TRANSCRIPTASE)		Rilpivirine5 / 12
LEU A 126
VAL A 144
VAL A 151
PHE A 168
LEU A 164
1.66A17.06
APR  A 201 (-4.7A)
None
None
None
None
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.
2R5P_B_MK1B902_1
(PROTEASE)		Indinavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.11A16.67
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
5WWS_B_SAMB501_0
(PUTATIVE
METHYLTRANSFERASE
NSUN6)		S-Adenosylmethionine5 / 12
GLY A  48
ASP A 157
LYS A 158
ASP A 162
ASP A  22
1.67A17.13
APR  A 201 (-3.4A)
None
None
None
APR  A 201 (-3.5A)
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.
5JMN_C_FUAC1101_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		Fusidic Acid3 / 3
VAL B  95
HIS B  91
VAL B  34
0.85A10.75
None
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.
3K4V_D_ROCD201_1
(HIV-1 PROTEASE)		Saquinavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.08A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
3M8P_A_65BA562_0
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H
P51 RT)		Etravirine5 / 11
LEU B 126
VAL B 144
VAL B 151
PHE B 168
LEU B 164
1.73A17.12
18.10
APR  B 201 (-4.8A)
None
None
None
None
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.
2AQU_B_DR7B300_1
(HIV-1 PROTEASE)		Atazanavir5 / 10
GLY A  46
ALA A  50
GLY A 130
PRO A  98
VAL A  96
1.45A18.50
APR  A 201 (-3.7A)
APR  A 201 ( 3.7A)
APR  A 201 (-3.3A)
None
None
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.
1YAJ_G_BEZG3385_0
(CES1 PROTEIN)		Benzoic Acid3 / 3
SER B 139
VAL B 151
LEU B 153
1.00A15.98
None
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.
1LQT_A_ACTA1871_0
(FPRA)		Acetic acid4 / 7
PHE B 116
PRO B 125
ALA B 112
SER B 128
1.15A17.11
None
None
None
APR  B 201 (-4.4A)
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.
3NU6_B_478B401_2
(PROTEASE)		Amprenavir5 / 10
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.32A16.11
None
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.
1S9P_A_DESA459_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		Diethylstilbestrol5 / 12
LEU B 123
LEU B 122
VAL B 147
LEU B 153
ILE B  23
1.39A21.70
None
None
None
None
APR  B 201 (-4.0A)
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		Estrone5 / 11
LEU B  88
GLU B  25
MET B  61
GLY B  51
HIS B  45
1.60A20.08
None
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.
2R5P_B_MK1B902_2
(PROTEASE)		Indinavir5 / 12
ASP A  22
ASP A 157
VAL A 155
GLY A  48
PRO A 125
1.23A16.67
APR  A 201 (-3.5A)
None
APR  A 201 ( 4.6A)
APR  A 201 (-3.4A)
None
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.
3UIV_H_308H1008_1
(SERUM ALBUMIN)		Amantadine5 / 6
LEU B 160
LEU B 164
ILE B 137
SER B 139
ALA B 134
1.41A14.58
None
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.
2BR4_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine5 / 12
LEU B  12
LEU B 140
SER B 139
ALA B 154
ALA B  21
1.37A19.91
None
None
None
APR  B 201 (-4.5A)
None
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.
3IJD_A_C2FA314_0
(UNCHARACTERIZED
PROTEIN)		Levomefolic acid5 / 12
TYR B  42
LEU B  43
VAL B  77
GLY B  78
LEU B 108
1.51A20.63
None
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.
3SPK_B_TPVB100_2
(HIV-1 PROTEASE)		Tipranavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.19A19.08
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
5HYR_A_ESTA601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU A  53
ALA A  27
GLU A  26
LEU A 123
HIS A  94
1.73A23.05
None
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.
1EIZ_A_SAMA301_0
(FTSJ)		S-Adenosylmethionine5 / 12
ALA A  50
GLY A 130
GLY A  47
GLY A  46
LEU A 160
1.30A22.22
APR  A 201 ( 3.7A)
APR  A 201 (-3.3A)
EDO  A 202 (-3.8A)
APR  A 201 (-3.7A)
None
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.
3R9C_A_ECLA451_1
(CYTOCHROME P450
164A2)		Econazole6 / 10
LEU B 122
LEU B 127
ALA B 112
VAL B 147
VAL B  16
THR B 149
1.72A18.05
None
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.
5O96_B_SAMB501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 9
PRO B  98
GLY B 130
GLY B 133
LEU B 127
ALA B  38
1.48A19.92
None
APR  B 201 (-3.4A)
None
None
APR  B 201 (-3.4A)
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.
5OG9_A_TESA503_1
(-)		Testosterone5 / 9
LEU B  43
VAL B  96
LEU B  75
LEU B  53
ALA B 112
1.65A16.49
None
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.
4ANQ_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		Crizotinib5 / 9
LEU B 123
VAL B  35
ALA B  27
LEU B  88
ALA B  52
1.30A19.51
None
None
None
None
APR  B 201 ( 4.0A)
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.
1L5R_A_RBFA859_1
(GLYCOGEN
PHOSPHORYLASE, LIVER
FORM)		Riboflavin5 / 11
LEU A  83
GLU A  64
TYR A  68
ALA A  50
GLY A  51
1.79A12.95
None
None
None
APR  A 201 ( 3.7A)
None
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.
2GSS_A_EAAA0_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		Etacrynic acid4 / 8
TYR A 113
PHE A 116
VAL A 147
ILE A  18
1.31A21.97
None
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.
2Z71_C_PNVC904_1
(PENICILLIN ACYLASE)		Phenoxymethylpenicillin5 / 10
THR B 146
ASN B 117
GLU B 114
LYS B 110
ASP B 145
1.42A23.24
None
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.
2ZLC_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU B  93
VAL B  95
SER B  80
VAL B 151
LEU B 126
1.24A20.97
None
None
None
None
APR  B 201 (-4.8A)
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.
4DQB_B_017B101_1
(ASPARTYL PROTEASE)		Darunavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.33A18.82
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
1XIU_B_9CRB202_1
(RXR-LIKE PROTEIN)		Alitretinoin5 / 12
ALA A  27
LEU A 123
ALA A  21
CYH A  92
HIS A  86
1.55A21.94
None
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.
6A94_A_ZOTA3001_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		Zotepine5 / 12
SER B 139
GLY B  97
SER B 128
ASN B 115
VAL B 147
1.55A17.87
None
None
APR  B 201 (-4.4A)
None
None
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.
2PGR_A_DCFA501_2
(ADENOSINE DEAMINASE)		Pentostatin3 / 3
LEU B 127
LEU B  75
PHE B 116
1.10A22.16
None
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.
3MTE_A_SAMA220_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
PRO A  98
VAL A 100
ASN A 101
ALA A 112
LEU A 127
1.29A24.58
None
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.
1MUI_B_AB1B100_1
(PROTEASE)		Lopinavir5 / 10
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.37A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
3MNP_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		Betamethasone5 / 12
ASN B 117
VAL B  36
LEU B 127
CYH B 143
THR B 146
1.59A19.50
None
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.
5ZMQ_I_PACI1_0
(SERINE PROTEASE NS3
SERINE PROTEASE
SUBUNIT NS2B
PEPTIDE
PAC-DLY-DLY-DAR)		Phenylacetic acid3 / 3
VAL B  41
TYR B  42
GLU B 104
0.86A22.75
14.94
None
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.
2FUM_D_MIXD3539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		Mitoxantrone5 / 12
LEU B  53
GLY B  51
GLY B  47
VAL B  49
ASN B  40
1.32A18.36
None
None
APR  B 201 (-4.3A)
APR  B 201 (-3.6A)
APR  B 201 (-3.8A)
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.
4L9I_A_8PRA601_1
(RHODOPSIN KINASE)		Paroxetine4 / 7
VAL A  49
ALA A  38
LEU A 123
ASP A 157
1.41A15.87
APR  A 201 (-3.7A)
APR  A 201 (-3.4A)
None
None
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.
5C0O_E_SAME301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		S-Adenosylmethionine5 / 12
ALA A  50
GLY A  51
ALA A  60
HIS A  45
LEU A  88
1.37A22.83
APR  A 201 ( 3.7A)
None
None
None
None
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.
5KR0_A_478A101_2
(PROTEASE E35D-APV)		Amprenavir5 / 9
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.28A18.50
None
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.
5W4Z_A_RBFA502_1
(RIBOFLAVIN LYASE)		Riboflavin5 / 12
PHE A 116
ALA A 124
ALA A 154
GLY A  97
ALA A 112
1.08A15.87
None
None
APR  A 201 (-4.5A)
None
None
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.
5HJI_A_ADNA401_1
(TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A)		Adenosine5 / 11
LEU A 164
TYR A 161
GLY B   8
ILE A  18
VAL A  16
1.62A19.83
None
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.
5I9X_A_DB8A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		Bosutinib5 / 12
ALA B  39
GLU B  64
ILE B  69
GLY B  79
LEU B  75
1.45A21.59
None
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.
2BNN_B_FCNB1199_1
(EPOXIDASE)		Fosfomycin4 / 8
LEU B  75
ASN B  37
HIS B  94
HIS B  45
1.32A22.79
None
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.
1MRL_B_DOLB301_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		Dalfopristin5 / 12
LEU A 153
LEU A 160
ASN A  15
VAL A 147
TYR A 113
1.48A24.17
None
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.
3U9F_J_CLMJ221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 12
SER B  65
SER B  84
LEU B  88
VAL B  24
VAL B  35
1.49A21.00
None
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.
4M2X_E_TMQE202_1
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate5 / 12
ALA B 124
ASP B  22
ILE B  23
LEU B 164
ILE B  18
1.44A20.77
None
APR  B 201 (-3.4A)
APR  B 201 (-4.0A)
None
None
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.
3UFN_A_ROCA402_1
(HIV-1 PROTEASE)		Saquinavir4 / 5
LEU A  53
PRO A  32
VAL A  35
ASP A  22
1.60A18.71
None
None
None
APR  A 201 (-3.5A)
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.
1UWH_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib5 / 12
ALA B  89
LYS B  28
GLU B  25
LEU B  53
CYH B  92
1.55A21.69
None
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.
1KAR_A_HSMA502_1
(HISTIDINOL
DEHYDROGENASE)		Histamine5 / 9
LEU A  83
HIS A  94
HIS A  86
LEU A  43
HIS A  45
1.29A18.72
None
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.
4UXQ_A_0LIA1752_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		Ponatinib5 / 12
LEU B  93
ILE B  18
VAL B 151
LEU B 164
LEU B 127
1.34A22.76
None
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.
5WGD_B_ESTB601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU A  53
ALA A  27
GLU A  26
LEU A 123
HIS A  94
1.69A21.65
None
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.
1SGU_B_MK1B2632_1
(POL POLYPROTEIN)		Indinavir5 / 8
ASP B  22
GLY B  47
GLY B  51
PRO B 125
ALA B 154
1.34A18.50
APR  B 201 (-3.4A)
APR  B 201 (-4.3A)
None
None
APR  B 201 (-4.5A)
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.
2OXT_A_SAMA300_1
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		S-Adenosylmethionine3 / 3
SER A 128
HIS A  94
ASP A  66
1.28A22.22
APR  A 201 (-4.4A)
None
None
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.
3KK6_B_CELB1701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		Celecoxib4 / 6
VAL B  16
LEU B  53
ALA B 124
LEU B 153
1.02A15.23
None
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.
4Q1Y_A_017A106_1
(ASPARTYL PROTEASE)		Darunavir5 / 10
LEU A 126
ALA A  38
ILE A  23
GLY A  48
VAL A 155
1.32A19.79
APR  A 201 (-4.7A)
APR  A 201 (-3.4A)
APR  A 201 (-4.0A)
APR  A 201 (-3.4A)
APR  A 201 ( 4.6A)
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.
4X1K_D_LOCD502_2
(TUBULIN BETA CHAIN)		Colchicine5 / 12
CYH B  92
LEU B  83
LEU B  53
ASN B  87
VAL B  34
1.54A18.02
None
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.
3EL5_B_1UNB201_2
(PROTEASE)		Nelfinavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.17A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
3U9F_I_CLMI221_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 10
SER B  65
SER B  84
LEU B  88
VAL B  24
VAL B  35
1.47A21.00
None
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.
5XDX_C_CHDC308_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT VIIA-HEART)		Cholic Acid4 / 5
LEU B 109
PHE B 132
LEU B 127
PHE B 116
1.69A23.17
15.61
None
APR  B 201 (-3.5A)
None
None
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.
1HSG_B_MK1B902_2
(HIV-1 PROTEASE)		Indinavir5 / 12
ASP A  22
ASP A 157
VAL A 155
GLY A  48
PRO A 125
1.31A18.50
APR  A 201 (-3.5A)
None
APR  A 201 ( 4.6A)
APR  A 201 (-3.4A)
None
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.
4DQH_B_017B101_2
(WILD-TYPE HIV-1
PROTEASE DIMER)		Darunavir5 / 10
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.37A18.82
None
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.
2VCV_F_ASDF1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		4-Androstenedione5 / 8
LEU A 122
PRO A 125
ALA A  38
LEU A 127
ALA A 112
1.58A21.70
None
None
APR  A 201 (-3.4A)
None
None
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.
1EJ0_A_SAMA301_0
(FTSJ)		S-Adenosylmethionine5 / 12
ALA A  50
GLY A 130
GLY A  47
GLY A  46
LEU A 160
1.31A22.22
APR  A 201 ( 3.7A)
APR  A 201 (-3.3A)
EDO  A 202 (-3.8A)
APR  A 201 (-3.7A)
None
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.
2YOE_C_FL7C1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Flurazepam5 / 8
ASN B 115
GLY B  78
ILE B  69
VAL B  82
TYR B  68
1.64A18.67
None
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.
4PO0_A_NPSA603_1
(SERUM ALBUMIN)		Naproxen5 / 10
LEU A 127
LEU A  75
ASN A  37
LEU A  43
VAL A  41
1.56A15.32
None
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.
4O0W_A_ADNA501_1
(AURORA KINASE A)		Adenosine5 / 6
LEU A  75
GLY A  79
VAL A  96
ALA A  39
LEU A  93
1.65A21.71
None
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.
6DIL_B_TPVB201_0
(HIV-1 PROTEASE)		Tipranavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.23A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
6GNE_B_ACRB602_1
(-)		Acarbose5 / 12
GLY B  47
GLY B  48
VAL B  49
GLN B  62
GLY B 130
1.11A15.68
APR  B 201 (-4.3A)
APR  B 201 (-3.4A)
APR  B 201 (-3.6A)
None
APR  B 201 (-3.4A)
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.
2HMY_B_SAMB328_0
(PROTEIN
(CYTOSINE-SPECIFIC
METHYLTRANSFERASE
HHAI))		S-Adenosylmethionine5 / 12
GLY B 130
GLY B 133
ASP B  22
ILE B  23
LEU B  53
1.51A22.30
APR  B 201 (-3.4A)
None
APR  B 201 (-3.4A)
APR  B 201 (-4.0A)
None
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.
3SXR_A_1N1A1_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)		Dasatinib5 / 12
LEU B 153
VAL B 151
ALA B 124
VAL B  95
LEU B 127
1.25A22.43
None
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.
4XLI_A_1N1A601_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)		Dasatinib5 / 12
LEU A 153
ALA A 124
VAL A  95
LEU A 127
ALA A 112
1.42A21.29
None
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.
2Q64_B_1UNB1001_3
(PROTEASE RETROPEPSIN)		Nelfinavir5 / 12
LEU A 126
ALA A  38
ASN A  37
GLY A  47
VAL A 155
1.26A17.92
APR  A 201 (-4.7A)
APR  A 201 (-3.4A)
None
EDO  A 202 (-3.8A)
APR  A 201 ( 4.6A)
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.
2BM9_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine5 / 12
LEU B  88
GLY B  51
ASN B  54
ALA B  50
ALA B  39
1.40A21.65
None
None
None
APR  B 201 (-3.6A)
None
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.
1U18_B_HSMB402_1
(NITROPHORIN 1)		Histamine4 / 5
GLU A  25
THR A  57
LEU A  53
LEU A  88
1.58A23.56
None
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.
1HPV_B_478B200_2
(HIV-1 PROTEASE)		Amprenavir5 / 9
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.37A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
4M2X_A_TMQA202_1
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate5 / 12
ALA B 124
ASP B  22
ILE B  23
LEU B 164
ILE B  18
1.34A20.77
None
APR  B 201 (-3.4A)
APR  B 201 (-4.0A)
None
None
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.
3TBG_C_RTZC2_1
(CYTOCHROME P450 2D6)		Thioridazine5 / 10
LEU B  12
THR B  13
VAL B  16
LEU B 126
VAL B 142
1.34A15.88
None
None
None
APR  B 201 (-4.8A)
None
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.
4WBO_D_ANWD601_0
(RHODOPSIN KINASE)		Amlexanox5 / 8
VAL B 142
GLY B  97
LEU B 109
SER B 139
ALA B  39
1.31A16.34
None
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.
2AOH_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		Amphetamine4 / 5
ASP A  22
GLY A  48
PRO A 125
ALA A 154
1.02A17.34
APR  A 201 (-3.5A)
APR  A 201 (-3.4A)
None
APR  A 201 (-4.5A)
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.
5WYQ_B_SAMB301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B  47
ILE B  23
LEU B  53
GLY B  51
GLY B  48
1.27A23.24
APR  B 201 (-4.3A)
APR  B 201 (-4.0A)
None
None
APR  B 201 (-3.4A)
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.
3LP1_A_NVPA701_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Nevirapine5 / 10
LEU A 109
ASN A 115
VAL A  95
GLY A  79
TYR A 113
1.49A15.89
None
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.
4LL3_A_017A202_2
(PROTEASE)		Darunavir5 / 9
ASP A  22
ASP A 157
VAL A 155
GLY A  48
PRO A 125
1.43A18.50
APR  A 201 (-3.5A)
None
APR  A 201 ( 4.6A)
APR  A 201 (-3.4A)
None
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.
3OXV_C_478C200_2
(HIV-1 PROTEASE)		Amprenavir5 / 11
ASP A  22
ASP A 157
VAL A 155
GLY A  48
PRO A 125
1.43A19.89
APR  A 201 (-3.5A)
None
APR  A 201 ( 4.6A)
APR  A 201 (-3.4A)
None
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.
1K6C_B_MK1B902_2
(POL POLYPROTEIN)		Indinavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.15A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
3F8W_C_ADNC302_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		Adenosine5 / 12
SER B  65
HIS B  86
GLY B  46
GLY B  51
ASN B  40
1.57A22.18
None
None
APR  B 201 (-3.7A)
None
APR  B 201 (-3.8A)
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.
1T6Z_B_RBFB596_1
(RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE)		Riboflavin5 / 11
THR B 146
VAL B  95
ASN B 115
GLU B 114
LEU B 122
1.66A21.46
None
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.
3EKV_A_478A200_2
(PROTEASE)		Amprenavir5 / 9
ASP A  22
ASP A 157
VAL A 155
GLY A  48
PRO A 125
1.54A17.92
APR  A 201 (-3.5A)
None
APR  A 201 ( 4.6A)
APR  A 201 (-3.4A)
None
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.
3D1Z_B_017B201_2
(HIV-1 PROTEASE)		Darunavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.25A16.11
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
2BM9_A_SAMA301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine5 / 12
LEU B  12
LEU B 140
SER B 139
ALA B 154
ALA B  21
1.42A21.65
None
None
None
APR  B 201 (-4.5A)
None
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.
1ZGY_A_BRLA503_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone5 / 12
PHE A 116
CYH A 143
SER A 139
LEU A 164
LEU A 109
1.57A23.66
None
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.
5XIP_D_HFGD1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		Halofuginone5 / 12
LEU B 122
GLU B 114
THR B 149
GLU B 120
ARG B 148
1.69A15.32
None
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.
3GYQ_B_SAMB270_0
(RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE)		S-Adenosylmethionine5 / 11
LEU A 140
ALA A 129
SER A 128
LEU A 127
VAL A 142
1.38A22.06
None
APR  A 201 (-3.6A)
APR  A 201 (-4.4A)
None
None
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.
4V2O_B_CLQB1079_0
(SAPOSIN-B)		Chloroquine3 / 3
MET B  61
GLU B  64
LEU B  43
1.34A17.34
None
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.
6F7L_B_ACTB503_0
(AMINE OXIDASE LKCE)		Acetic acid3 / 3
VAL A 100
GLU A 104
ILE A 106
1.00A16.86
None
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.
4P65_C_IPHC101_0
(INSULIN)		Phenol5 / 11
LEU B  43
LEU B  75
ALA B  39
VAL B  82
LEU B  93
1.46A9.33
11.81
None
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.
2AVS_B_MK1B902_3
(POL POLYPROTEIN)		Indinavir5 / 12
ASP A  22
ASP A 157
VAL A 155
GLY A  48
PRO A 125
1.28A18.50
APR  A 201 (-3.5A)
None
APR  A 201 ( 4.6A)
APR  A 201 (-3.4A)
None
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.
6GNE_A_ACRA602_1
(-)		Acarbose5 / 12
GLY B  47
GLY B  48
VAL B  49
GLN B  62
GLY B 130
1.11A15.68
APR  B 201 (-4.3A)
APR  B 201 (-3.4A)
APR  B 201 (-3.6A)
None
APR  B 201 (-3.4A)
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.
5ZJI_A_PQNA844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 10
PHE A   6
SER A   7
GLY A   8
ILE A  23
ALA A 154
1.75A13.48
14.53
None
None
None
APR  A 201 (-4.0A)
APR  A 201 (-4.5A)
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.
5UMW_F_RBFF201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)		Riboflavin4 / 7
LEU A  10
VAL B  30
TYR B 152
SER B   5
1.49A19.37
None
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.
3UE4_A_DB8A601_1
(TYROSINE-PROTEIN
KINASE ABL1)		Bosutinib5 / 12
LEU B 126
ALA B 129
VAL B 100
ILE B 131
LEU B 109
1.42A24.35
APR  B 201 (-4.8A)
APR  B 201 (-3.6A)
None
APR  B 201 (-3.2A)
None
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.
3F8W_A_ADNA300_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		Adenosine5 / 12
TYR A 113
VAL A  96
GLY A  97
ASN A  37
VAL A  49
1.60A22.18
None
None
None
None
APR  A 201 (-3.7A)
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.
2Y05_A_RALA802_1
(PROSTAGLANDIN
REDUCTASE 1)		Raloxifene5 / 7
VAL A 147
TYR A 113
ARG A 148
ASN A 115
VAL A  36
1.77A24.09
None
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.
3A50_A_VD3A2001_1
(VITAMIN D
HYDROXYLASE)		Cholecalciferol5 / 12
PRO B  32
ILE B  23
LEU B  53
ALA B  50
LEU B 127
1.50A18.97
None
APR  B 201 (-4.0A)
None
APR  B 201 (-3.6A)
None
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.
4QRC_A_0LIA802_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		Ponatinib5 / 12
ALA B  52
VAL B  49
CYH B 143
ALA B 154
LEU B 122
1.20A22.22
APR  B 201 ( 4.0A)
APR  B 201 (-3.6A)
None
APR  B 201 (-4.5A)
None
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.
2VE3_A_REAA1445_1
(PUTATIVE CYTOCHROME
P450 120)		Tretinoin5 / 12
THR A 146
LEU A 153
ALA A 124
VAL A  95
GLY A  79
1.27A18.39
None
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_0
(ESTROGEN RECEPTOR)		Lasofoxifene5 / 12
THR A 146
LEU A 127
LEU A  93
GLY A  97
LEU A 109
1.34A23.08
None
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.
4GH8_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA B  38
ILE B  18
ASN B  20
LEU B 164
TYR B 113
1.61A21.51
APR  B 201 (-3.4A)
None
None
None
None
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.
6C2M_B_SUEB1202_0
(NS3 PROTEASE)		Grazoprevir5 / 12
GLN B  62
VAL B  82
ILE B 131
GLY B  51
ALA B  38
1.55A25.24
None
None
APR  B 201 (-3.2A)
None
APR  B 201 (-3.4A)
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.
1KIJ_A_NOVA400_2
(DNA GYRASE SUBUNIT B)		Novobiocin3 / 3
ASN A  15
PHE A 168
VAL A 144
1.00A18.78
None
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.
5ERG_B_SAMB401_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61)		S-Adenosylmethionine5 / 12
SER A   5
HIS A 119
CYH A 143
LEU A 153
PRO A 125
1.36A17.94
None
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.
4KS8_A_B49A701_1
(SERINE/THREONINE-PRO
TEIN KINASE PAK 6)		Sunitinib5 / 10
ILE A 131
ALA A  38
PHE A 132
GLY A 133
SER A 139
1.63A20.40
APR  A 201 (-3.2A)
APR  A 201 (-3.4A)
APR  A 201 (-3.4A)
None
None
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.
4O3F_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		Terazosin5 / 12
GLY A  51
ALA A  50
GLY A  47
GLY A  48
PHE A 132
1.17A18.77
None
APR  A 201 ( 3.7A)
EDO  A 202 (-3.8A)
APR  A 201 (-3.4A)
APR  A 201 (-3.4A)
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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		Boceprevir5 / 12
ILE B  23
LEU B  53
GLY B  51
ALA B  38
VAL B  36
1.37A23.04
APR  B 201 (-4.0A)
None
None
APR  B 201 (-3.4A)
None
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.
4XO7_A_ASDA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		4-Androstenedione4 / 7
VAL B  35
ILE B  23
LEU B 140
LEU B 126
1.38A21.18
None
APR  B 201 (-4.0A)
None
APR  B 201 (-4.8A)
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.
5N3H_A_NCAA401_0
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA)		Nicotinamide5 / 10
LEU B 153
VAL B 151
ALA B 124
VAL B  95
LEU B 127
1.28A20.28
None
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.
3OXX_C_DR7C100_1
(HIV-1 PROTEASE)		Atazanavir5 / 12
GLY A 133
ALA A 134
GLY A  97
VAL A  96
PRO A 125
1.31A19.89
None
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.
4UBS_A_DIFA502_1
(PENTALENIC ACID
SYNTHASE)		Diclofenac5 / 9
ARG B 141
LEU B  12
SER B 166
LEU B 164
ILE B  18
1.70A16.75
None
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.
4DQE_B_017B101_1
(ASPARTYL PROTEASE)		Darunavir5 / 11
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.28A18.82
None
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.
1JKH_A_EFZA999_1
(HIV-1 RT, A-CHAIN
HIV-1 RT, B-CHAIN)		Efavirenz5 / 11
LEU A 109
VAL A  95
VAL A  77
GLY A  79
TYR A 113
1.72A17.06
18.10
None
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.
4QDJ_A_SAMA301_0
(MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
VAL A  36
PHE A 116
GLY A  79
LEU A  75
LEU A 108
1.41A23.50
None
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.
3P2K_C_SAMC6735_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
PRO B  98
VAL B 100
ASN B 101
ALA B 112
LEU B 127
1.21A22.49
None
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.
6FCB_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
PRO B 136
LYS B 163
SER B 166
ASP B 135
1.65A18.77
None
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.
1JGS_A_SALA256_1
(MULTIPLE ANTIBIOTIC
RESISTANCE PROTEIN
MARR)		Salicylic acid4 / 7
PRO A  98
VAL A  77
LEU A 109
VAL A 100
1.13A21.71
None
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.
4I22_A_IREA9001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib6 / 12
LEU B 123
VAL B  35
ALA B  89
LEU B  83
ASP B  22
THR B  57
1.77A19.69
None
None
None
None
APR  B 201 (-3.4A)
None
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.
4PO0_A_NPSA602_1
(SERUM ALBUMIN)		Naproxen5 / 8
LYS B 110
ALA B 112
GLY B  79
LEU B 127
GLU B 104
1.65A15.32
None
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.
3TBG_B_RTZB2_1
(CYTOCHROME P450 2D6)		Thioridazine4 / 8
LEU B  12
THR B  13
VAL B  16
LEU B 126
1.10A15.88
None
None
None
APR  B 201 (-4.8A)
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.
5YCN_A_8LXA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Lobeglitazone5 / 12
ILE A 131
GLY A 133
TYR A 113
VAL A  96
LEU A 164
1.43A22.57
APR  A 201 (-3.2A)
None
None
None
None
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.
2VCV_B_ASDB1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		4-Androstenedione4 / 6
PHE B 116
LEU B 126
ALA B  38
ALA B 112
1.17A21.70
None
APR  B 201 (-4.8A)
APR  B 201 (-3.4A)
None
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.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		Adenosine5 / 12
TYR A 113
VAL A  96
GLY A  97
ASN A  37
VAL A  49
1.62A22.18
None
None
None
None
APR  A 201 (-3.7A)
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.
6C2M_A_SUEA1202_0
(NS3 PROTEASE)		Grazoprevir5 / 12
VAL A 100
ILE A  23
LEU A  53
GLY A  51
ALA A  38
1.42A25.24
None
APR  A 201 (-4.0A)
None
None
APR  A 201 (-3.4A)
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.
2BM9_C_SAMC301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine5 / 12
LEU A  88
GLY A  51
ASN A  54
ALA A  50
ALA A  38
1.32A21.65
None
None
None
APR  A 201 ( 3.7A)
APR  A 201 (-3.4A)
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.
1T3R_A_017A1200_2
(PROTEASE RETROPEPSIN)		Darunavir5 / 11
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.36A19.89
None
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.
3QXT_B_MTXB2000_1
(ANTI-METHOTREXATE
CDR1-3 GRAFT VHH)		Methotrexate5 / 12
VAL A  36
LEU A 122
ALA A 124
SER A 128
VAL A  16
1.16A19.34
None
None
None
APR  A 201 (-4.4A)
None
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.
1AO8_A_MTXA170_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU A  53
ALA A  89
LEU A 122
SER A  80
LEU A 127
1.51A22.70
None
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.
3EKX_B_1UNB201_1
(PROTEASE)		Nelfinavir5 / 11
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.21A17.92
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
1FDU_B_ESTB354_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		Estradiol4 / 8
VAL A 155
TYR A   9
PRO A 125
VAL A 144
1.32A20.38
APR  A 201 ( 4.6A)
None
None
None
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.
2BXE_B_1FLB2002_1
(SERUM ALBUMIN)		Diflunisal5 / 11
ALA B  89
ALA B  27
LEU B  53
ALA B  56
SER B  84
1.49A14.58
None
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.
6DH0_A_017A101_1
(PROTEASE)		Darunavir6 / 12
ASP A  22
ASP A 157
VAL A 155
GLY A  48
LEU A 160
PRO A 125
1.53A19.08
APR  A 201 (-3.5A)
None
APR  A 201 ( 4.6A)
APR  A 201 (-3.4A)
None
None
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.
3S56_A_ROCA201_2
(PROTEASE)		Saquinavir5 / 9
ASP B 157
GLY B 130
ILE B 131
PRO B 125
ILE B  23
1.05A18.50
None
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
APR  B 201 (-4.0A)
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.
3PWM_B_017B402_1
(PROTEASE)		Darunavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.28A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
3ELZ_A_CHDA152_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid3 / 3
VAL A  30
LYS A  31
HIS A 119
1.72A23.20
None
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.
5HYR_B_ESTB601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU A 153
ALA A 154
LEU A 123
LEU A 122
LEU A  53
1.61A23.05
None
APR  A 201 (-4.5A)
None
None
None
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.
2WD9_A_IBPA1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		Ibuprofen4 / 7
ILE A 106
VAL A  77
GLY A  78
GLY A  97
0.99A14.11
None
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.
5Z0H_B_DAHB98_0
(MELC
TYROSINASE)		Levodopa5 / 11
HIS B  45
ASN B  37
HIS B  94
VAL B  95
PRO B 125
1.50A19.72
21.84
None
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.
5EWU_A_BEZA1401_0
(MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC)		Benzoic Acid4 / 6
GLY B 133
SER B 128
VAL B 100
HIS B 138
1.74A19.44
None
APR  B 201 (-4.4A)
None
None
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.
6CB4_A_BEZA501_0
(CANAVALIN)		Benzoic Acid4 / 8
LEU A 140
ASN A  15
VAL A 151
LEU A 153
1.08A16.48
None
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		Montelukast6 / 12
SER B 139
SER B 128
VAL B  49
ALA B  50
VAL B  95
VAL B  35
1.78A16.24
None
APR  B 201 (-4.4A)
APR  B 201 (-3.6A)
APR  B 201 (-3.6A)
None
None
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.
2O4N_A_TPVA300_2
(PROTEASE)		Tipranavir5 / 8
LEU A 126
ALA A  38
ILE A  23
GLY A  48
ILE A 131
1.55A19.08
APR  A 201 (-4.7A)
APR  A 201 (-3.4A)
APR  A 201 (-4.0A)
APR  A 201 (-3.4A)
APR  A 201 (-3.2A)
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.
3UNI_A_SALA1344_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid5 / 7
PHE A 116
THR A 146
VAL A 142
LEU A 109
ALA A 112
1.69A9.13
None
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Haloperidol5 / 12
LEU A  53
PHE A   6
VAL A  30
VAL A 121
LEU A  83
1.33A23.45
None
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.
6AG0_A_ACRA606_0
(ALPHA-AMYLASE)		Acarbose4 / 7
GLY B  47
GLY B  48
GLY B 130
GLY B 133
1.07A15.88
APR  B 201 (-4.3A)
APR  B 201 (-3.4A)
APR  B 201 (-3.4A)
None
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.
3ZBF_A_VGHA3000_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS)		Crizotinib5 / 12
LEU B  43
LEU B  83
LEU B  93
GLY B  79
LEU B  75
1.06A22.36
None
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.
2O4S_A_AB1A400_1
(PROTEASE)		Lopinavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.23A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
2AOI_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		Amphetamine4 / 5
ASP A 105
GLY A  78
VAL A 100
ILE A 106
1.62A18.50
None
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.
3NDT_D_ROCD100_2
(PROTEASE)		Saquinavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.14A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
6EKZ_A_SNPA413_0
(AROMATIC
PEROXYGENASE)		Propranolol5 / 7
GLN A 118
GLY A  97
SER A 111
GLY A  78
VAL A  96
1.74A19.50
None
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.
4UCI_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		S-Adenosylmethionine5 / 12
THR A  57
GLY A  51
ASN A  54
ALA A  21
LYS A  28
1.34A18.16
None
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.
1CMC_B_SAMB105_0
(MET REPRESSOR)		S-Adenosylmethionine5 / 10
GLU B 104
LEU B 109
ALA B 134
PHE B 132
GLY B 130
1.68A21.79
None
None
None
APR  B 201 (-3.5A)
APR  B 201 (-3.4A)
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.
3C6M_C_SPMC501_1
(SPERMINE SYNTHASE)		Spermine5 / 10
VAL B 121
ASN B 150
TYR B  17
ASP B  14
TYR B 152
1.77A18.50
None
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.
5LJE_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
PHE A 116
LEU A 109
ALA A 112
LEU A  53
LEU A 123
1.36A24.59
None
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.
5N4T_B_BEZB306_0
(BETA-LACTAMASE VIM-2)		Benzoic Acid3 / 3
HIS B  45
ASN B  54
ALA B  60
1.32A23.97
None
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.
3G5D_B_1N1B1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Dasatinib5 / 12
LEU A 153
ALA A 124
VAL A  95
LEU A 127
ALA A 112
1.43A20.62
None
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.
5UXC_A_ZITA306_1
(PREDICTED
AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		Azithromycin4 / 7
THR A 146
ARG A 148
PHE A 116
LEU A 127
1.50A22.35
None
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.
1KT5_A_RTLA176_0
(PLASMA
RETINOL-BINDING
PROTEIN)		Vitamin A5 / 12
LEU B  75
ALA B  50
ALA B  39
MET B  61
LEU B  93
1.59A21.47
None
APR  B 201 (-3.6A)
None
None
None
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.
5YN6_A_SAMA401_0
(NSP16 PROTEIN)		S-Adenosylmethionine5 / 12
GLY A 130
PRO A  98
GLY A  97
LEU A 160
ASP A 157
1.74A20.19
APR  A 201 (-3.3A)
None
None
None
None
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.
3C6G_A_VD3A701_1
(CYTOCHROME P450 2R1)		Cholecalciferol5 / 12
LEU A 109
LEU A 164
ALA A 134
ALA A  38
ILE A 137
1.29A17.95
None
None
None
APR  A 201 (-3.4A)
None
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_B_SAMB401_0
(MNMC2)		S-Adenosylmethionine5 / 12
GLY A  97
LEU A 109
ASN A  99
ASN A  37
LEU A  43
1.56A21.55
None
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.
1MZ9_A_VDYA1002_2
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol3 / 3
ILE A 137
LEU A 140
VAL A 144
0.31A17.76
None
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.
2BXE_A_1FLA2002_1
(SERUM ALBUMIN)		Diflunisal5 / 10
ALA B  89
ALA B  27
LEU B  53
ALA B  56
SER B  84
1.48A14.58
None
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.
2PRG_B_BRLB2_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone5 / 12
PHE A 116
CYH A 143
SER A 139
LEU A 164
LEU A 109
1.61A23.21
None
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.
5YCP_A_BRLA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone5 / 12
PHE A 116
CYH A 143
SER A 139
LEU A 164
LEU A 109
1.53A22.57
None
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.
4ZBR_A_NPSA603_1
(SERUM ALBUMIN)		Naproxen5 / 10
LEU A 122
LEU A 153
ALA A 124
SER A 139
LEU A 140
1.33A15.03
None
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.
3N8W_A_FLPA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Flurbiprofen5 / 12
VAL B 147
VAL B  36
LEU B 122
GLY B  97
ALA B 112
1.50A15.23
None
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.
2AVV_A_MK1A901_1
(POL POLYPROTEIN)		Indinavir6 / 12
LEU A 126
ALA A  38
GLY A  51
GLY A  48
ILE A 131
VAL A 155
1.68A16.11
APR  A 201 (-4.7A)
APR  A 201 (-3.4A)
None
APR  A 201 (-3.4A)
APR  A 201 (-3.2A)
APR  A 201 ( 4.6A)
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.
3OGQ_A_AB1A200_1
(FIV PROTEASE)		Lopinavir5 / 10
ASP A  22
ILE A  23
VAL A  35
GLY A  51
LEU A  88
1.45A18.18
APR  A 201 (-3.5A)
APR  A 201 (-4.0A)
None
None
None
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.
1FBM_B_RTLB951_1
(PROTEIN (CARTILAGE
OLIGOMERIC MATRIX
PROTEIN))		Vitamin A4 / 4
THR B  33
LEU B 122
VAL B  36
LEU B 127
1.49A17.59
None
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.
6DJ2_B_AB1B201_1
(HIV-1 PROTEASE)		Lopinavir5 / 12
ASP A  22
ASP A 157
VAL A 155
GLY A  48
PRO A 125
1.32A18.50
APR  A 201 (-3.5A)
None
APR  A 201 ( 4.6A)
APR  A 201 (-3.4A)
None
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.
6DH3_A_017A101_0
(PROTEASE)		Darunavir6 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
ILE B  23
1.30A17.92
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
APR  B 201 (-4.0A)
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.
1VRT_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		Nevirapine5 / 9
LEU A 109
VAL A  95
VAL A  77
GLY A  79
TYR A 113
1.69A17.06
None
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.
3BOG_C_DVAC47_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		L-Valine4 / 4
GLY B  48
GLY B  47
GLY B  46
GLY B  51
1.16A17.54
APR  B 201 (-3.4A)
APR  B 201 (-4.3A)
APR  B 201 (-3.7A)
None
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.
3S54_B_017B201_2
(PROTEASE)		Darunavir5 / 12
ASP B 157
GLY B 130
ILE B 131
PRO B 125
ILE B  23
1.18A18.50
None
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
APR  B 201 (-4.0A)
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.
3CS9_D_NILD600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Nilotinib4 / 6
LEU B 164
TYR B 161
VAL B 155
LEU B  12
1.47A24.35
None
None
APR  B 201 ( 4.8A)
None
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.
1D1G_A_MTXA171_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ASP B 162
LYS B 163
ARG B 141
LEU B 140
ILE B  18
1.72A21.69
None
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.
3HS6_A_EPAA1_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Icosapent5 / 12
VAL A  30
GLY A  85
ALA A  89
LEU A 123
LEU A 122
1.51A15.49
None
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.
3LXE_A_TORA262_1
(CARBONIC ANHYDRASE 1)		Topiramate5 / 12
SER A  65
HIS A  94
VAL A  49
LEU A  88
HIS A  86
1.37A21.67
None
None
APR  A 201 (-3.7A)
None
None
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		Acarbose5 / 12
LEU B 126
LEU B 140
ALA B 129
ASP B 157
ASP B 162
1.77A14.33
APR  B 201 (-4.8A)
None
APR  B 201 (-3.6A)
None
None
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.
1D4Y_A_TPVA501_1
(PROTEIN (HIV-1
PROTEASE))		Tipranavir5 / 10
LEU A  75
ALA A  38
ILE A 131
GLY A  46
VAL A  41
1.54A18.50
None
APR  A 201 (-3.4A)
APR  A 201 (-3.2A)
APR  A 201 (-3.7A)
None
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.
4MXY_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Bosutinib6 / 12
LEU B 153
VAL B 151
ALA B 124
VAL B  95
LEU B 127
ALA B 112
1.42A20.62
None
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.
4F3T_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
LEU B  10
TYR B   9
LYS B  19
LEU A  10
1.31A12.68
None
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.
3VHU_A_SNLA1001_2
(MINERALOCORTICOID
RECEPTOR)		Spironolactone4 / 5
LEU B  10
LEU B  12
LEU B 164
SER B 166
1.51A20.00
None
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.
3T3C_A_017A201_2
(HIV-1 PROTEASE)		Darunavir5 / 10
ASP A  22
ASP A 157
VAL A 155
GLY A  48
PRO A 125
1.42A19.88
APR  A 201 (-3.5A)
None
APR  A 201 ( 4.6A)
APR  A 201 (-3.4A)
None
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_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Chloroquine4 / 6
GLY B  47
GLY B  51
ASN B  54
ILE B 131
1.51A21.54
APR  B 201 (-4.3A)
None
None
APR  B 201 (-3.2A)
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.
3BWC_B_SAMB501_0
(SPERMIDINE SYNTHASE)		S-Adenosylmethionine5 / 12
LEU B 160
ILE B 131
GLY B 130
VAL B 155
GLY B  47
1.50A22.11
None
APR  B 201 (-3.2A)
APR  B 201 (-3.4A)
APR  B 201 ( 4.8A)
APR  B 201 (-4.3A)
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.
6DYO_A_LDPA901_0
(EBONY)		Dopamine4 / 5
VAL B  24
LEU B  53
HIS B  94
THR B  57
1.57A22.75
None
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.
3NU9_A_478A401_1
(PROTEASE)		Amprenavir4 / 8
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.02A19.08
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
5V0V_A_8QSA615_1
(SERUM ALBUMIN)		Etodolac4 / 8
LEU A 127
VAL A  49
LEU A 122
ILE A  23
1.39A15.03
None
APR  A 201 (-3.7A)
None
APR  A 201 (-4.0A)
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.
1GXS_A_BEZA601_0
(P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B)		Benzoic Acid4 / 7
GLY B  78
PRO B  98
ASP B 105
SER B 111
1.33A22.14
22.40
None
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.
1FK9_A_EFZA999_1
(HIV-1 RT, A-CHAIN)		Efavirenz5 / 10
LEU A 109
VAL A  95
VAL A  77
GLY A  79
TYR A 113
1.71A17.15
None
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.
1PBC_A_BHAA396_0
(P-HYDROXYBENZOATE
HYDROXYLASE)		Aminosalicylic Acid5 / 10
GLY A  79
VAL A  95
LEU A  93
TYR A  68
ALA A  39
1.44A19.24
None
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.
3QLG_B_1N1B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Dasatinib6 / 12
LEU B 153
VAL B 151
ALA B 124
VAL B  95
LEU B 127
ALA B 112
1.44A20.62
None
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.
1GFZ_A_CFFA940_1
(GLYCOGEN
PHOSPHORYLASE)		Caffeine4 / 6
ASN B  54
HIS B  94
ALA B  50
GLY B  46
1.03A12.51
None
None
APR  B 201 (-3.6A)
APR  B 201 (-3.7A)
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.
2XN3_A_ID8A1356_1
(THYROXINE-BINDING
GLOBULIN)		Mefenamic acid4 / 8
LEU B  75
LEU B  93
ASN B  37
LEU B  83
1.46A20.59
11.56
None
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.
4UCK_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		S-Adenosylmethionine5 / 12
THR A  57
GLY A  51
ASN A  54
ALA A  21
LYS A  28
1.33A18.16
None
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.
3NUV_A_ASDA126_1
(STEROID
DELTA-ISOMERASE)		4-Androstenedione5 / 12
SER A 139
LEU A 164
PHE A 168
VAL A  16
ALA A 124
1.53A23.46
None
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.
1SDT_B_MK1B902_2
(PROTEASE RETROPEPSIN)		Indinavir5 / 12
ASP A  22
ASP A 157
VAL A 155
GLY A  48
PRO A 125
1.19A18.50
APR  A 201 (-3.5A)
None
APR  A 201 ( 4.6A)
APR  A 201 (-3.4A)
None
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.
3G88_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		S-Adenosylmethionine5 / 11
GLY A  51
ALA A  56
THR A  57
GLU A  25
ALA A  38
1.49A22.40
None
None
None
None
APR  A 201 (-3.4A)
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.
1IIU_A_RTLA176_0
(PLASMA
RETINOL-BINDING
PROTEIN)		Vitamin A5 / 11
LEU B  75
ALA B  50
ALA B  39
MET B  61
LEU B  93
1.64A19.78
None
APR  B 201 (-3.6A)
None
None
None
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.
1T7J_A_478A200_2
(POL POLYPROTEIN)		Amprenavir4 / 7
ASP A  22
ASP A 157
VAL A 155
GLY A  48
1.19A18.50
APR  A 201 (-3.5A)
None
APR  A 201 ( 4.6A)
APR  A 201 (-3.4A)
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.
3SXR_B_1N1B2_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)		Dasatinib5 / 12
LEU B 153
VAL B 151
ALA B 124
VAL B  95
LEU B 127
1.26A22.43
None
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.
3W9T_F_W9TF512_1
(HEMOLYTIC LECTIN
CEL-III)		Lactulose4 / 6
THR B  57
ASN B  54
GLY B  51
ILE B  23
1.11A18.06
None
None
None
APR  B 201 (-4.0A)
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.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		Valaciclovir5 / 10
TYR B  68
TYR B  42
VAL B  41
ASN B  40
ASN B  37
1.72A16.80
None
None
None
APR  B 201 (-3.8A)
None
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.
2Q63_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		Nelfinavir5 / 12
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.32A17.92
None
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.
4LB0_B_ACTB401_0
(UNCHARACTERIZED
PROTEIN)		Acetic acid4 / 5
VAL A 147
LEU A 122
VAL A  36
PHE A 116
1.51A19.03
None
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_D_C2FD3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		Levomefolic acid5 / 12
ASN A  40
LYS A  76
GLY A 130
SER A 128
ILE A 131
1.53A21.23
APR  A 201 (-3.9A)
None
APR  A 201 (-3.3A)
APR  A 201 (-4.4A)
APR  A 201 (-3.2A)
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.
4WRZ_A_URFA302_1
(URACIL-DNA
GLYCOSYLASE)		Fluorouracil5 / 8
GLY A  79
TYR A 113
SER A 111
SER A 128
ASN A 115
1.72A21.51
None
None
None
APR  A 201 (-4.4A)
None
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.
4KTT_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
PRO B 136
LYS B 163
SER B 166
ASP B 135
1.61A18.77
None
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.
2GQG_B_1N1B502_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Dasatinib6 / 12
LEU B 153
VAL B 151
ALA B 124
VAL B  95
LEU B 127
ALA B 112
1.46A24.26
None
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.
3N9J_A_EAAA210_1
(GLUTATHIONE
S-TRANSFERASE P)		Etacrynic acid4 / 8
TYR A 113
PHE A 116
VAL A 147
ILE A  18
1.26A21.97
None
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.
3D20_A_017A201_2
(HIV-1 PROTEASE)		Darunavir5 / 12
LEU B  83
ALA B  39
VAL B  36
GLY B  78
VAL B  82
1.29A18.50
None
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.
3GVU_A_STIA1001_1
(TYROSINE-PROTEIN
KINASE ABL2)		Imatinib6 / 12
LEU B 153
VAL B 151
ALA B 124
VAL B  95
LEU B 127
ALA B 112
1.25A22.03
None
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.
3M6W_A_SAMA465_0
(RRNA METHYLASE)		S-Adenosylmethionine5 / 12
ALA B  38
GLY B  46
GLY B  47
VAL B  95
VAL B 142
1.25A17.33
APR  B 201 (-3.4A)
APR  B 201 (-3.7A)
APR  B 201 (-4.3A)
None
None
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.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		Cidofovir5 / 8
ASN B  54
ALA B  60
GLN B  62
SER B  65
HIS B  45
1.72A21.71
None
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.
2OBV_A_SAMA501_0
(S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1)		S-Adenosylmethionine4 / 8
PRO B 136
LYS B 163
SER B 166
ASP B 135
1.62A19.31
None
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.
1K6C_B_MK1B902_1
(POL POLYPROTEIN)		Indinavir5 / 10
LEU A  75
ALA A  38
ILE A 131
GLY A  47
GLY A  46
1.24A18.50
None
APR  A 201 (-3.4A)
APR  A 201 (-3.2A)
EDO  A 202 (-3.8A)
APR  A 201 (-3.7A)
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.
5L2I_A_LQQA900_1
(CYCLIN-DEPENDENT
KINASE 6)		Palbociclib5 / 12
VAL A 100
THR A 146
LEU A 109
ALA A 134
ASP A 135
1.31A21.82
None
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.
4E0F_A_RBFA301_1
(RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA)		Riboflavin5 / 11
SER B  84
LEU B  88
ALA B  56
HIS B  45
VAL B  49
1.74A22.87
None
None
None
None
APR  B 201 (-3.6A)
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.
6FCD_A_ADNA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		Adenosine4 / 8
PRO B 136
LYS B 163
SER B 166
ASP B 135
1.59A19.02
None
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.
5TZO_B_7V7B201_1
(ENDO-1,4-BETA-XYLANA
SE A)		Fentanyl5 / 12
LEU A 164
ALA A 134
TYR A 113
ALA A 129
GLY A 130
1.35A22.05
None
None
None
APR  A 201 (-3.6A)
APR  A 201 (-3.3A)
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.
2QMM_A_SAMA301_0
(UPF0217 PROTEIN
AF_1056)		S-Adenosylmethionine5 / 9
LEU B  53
GLY B  48
GLY B  47
SER B  65
LEU B  43
1.45A20.83
None
APR  B 201 (-3.4A)
APR  B 201 (-4.3A)
None
None
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.
3POC_B_ACRB665_1
(ALPHA-GLUCOSIDASE)		Acarbose4 / 6
LYS B 163
ASP B 162
ASP B 157
LYS B 158
1.63A13.73
None
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.
5WEA_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 5
LEU A  10
TYR A   9
LYS A  19
LEU B  10
1.77A12.68
None
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.
5IY5_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
LEU B 109
PHE B 132
LEU B 127
PHE B 116
1.65A23.26
15.03
None
APR  B 201 (-3.5A)
None
None
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.
1IBG_H_OBNH1_2
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN)
IGG2B-KAPPA 40-50
FAB (LIGHT CHAIN))		Ouabain4 / 7
HIS A 138
SER A 139
ARG A 141
LEU A 126
1.59A21.52
None
None
None
APR  A 201 (-4.7A)
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.
6DJ1_B_AB1B201_0
(HIV-1 PROTEASE)		Lopinavir5 / 12
ASP B 157
VAL B 155
GLY B 130
ILE B 131
PRO B 125
1.17A18.50
None
APR  B 201 ( 4.8A)
APR  B 201 (-3.4A)
APR  B 201 (-3.2A)
None
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.
3CS9_B_NILB600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Nilotinib5 / 9
LEU B 164
TYR B 161
VAL B 155
VAL B  16
LEU B  12
1.61A24.35
None
None
APR  B 201 ( 4.8A)
None
None
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.
6A7P_A_9SCA601_1
(SERUM ALBUMIN)		Aripiprazole4 / 5
ASN B  87
VAL B  36
LEU B  93
SER B  84
1.41A14.58
None
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.
1T46_A_STIA3_1
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		Imatinib5 / 12
LEU B 153
VAL B 151
ALA B 124
VAL B  95
LEU B 127
1.34A19.23
None
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.
5LJC_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
PHE A   6
LEU A 153
LEU A 122
PHE A 116
ILE A  23
1.61A24.59
None
None
None
None
APR  A 201 (-4.0A)