PDB ID: 6w01


Macromolecule:
URIDYLATE-SPECIFIC
ENDORIBONUCLEASE

Source Organism:
SARS-CoV-2

Gene names:
1a-1b
rep

UniProt ID:
P0DTD1

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '6w01'

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.
4O2B_B_LOCB503_2
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 12
LEU A 251
THR A 326
ILE A 306
LYS A 320
ILE A 323
1.38A20.83
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.
4P3Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
PHE A 330
THR A 275
ILE A 323
LEU A 298
ILE A 296
1.60A17.34
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.
4I13_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid6 / 12
GLU A 327
PHE A 330
THR A 275
ILE A 323
LEU A 298
ILE A 296
1.66A17.34
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.
5LG3_J_Z80J401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		Chlorpromazine5 / 12
ILE B 236
ILE B 307
VAL B 237
GLU B 211
ASP B 302
1.26A20.44
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.
6CZM_E_HISE402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		L-Histidine5 / 9
LEU A 332
GLY A 337
LEU A 312
VAL A 314
CYH A 334
1.15A21.68
None
EDO  A 404 ( 3.3A)
None
EDO  A 404 (-4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XXI_A_LSNA503_1
(CYTOCHROME P450 2C9)		Losartan5 / 12
ILE A 296
PHE A 330
LEU A 332
LEU A 228
LEU A 251
1.46A21.38
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.
5L0Z_B_SAMB304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		S-Adenosylmethionine5 / 10
THR B  84
LEU B  58
GLY B 101
ILE B  86
ALA B  81
1.50A21.72
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.
4KOE_F_TR6F101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA2)		Trovafloxacin4 / 6
SER A 262
ARG A 258
GLY A 247
ASP A 240
1.25A20.76
21.41
None
None
CIT  A 412 (-3.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MM4_B_TA1B501_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 10
VAL A  78
LEU A  50
HIS A  96
ALA A  81
PRO A  68
1.65A23.40
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.
6F32_B_ACTB602_0
(AMINE OXIDASE LKCE)		Acetic acid4 / 6
ASN B 200
LYS B  90
VAL B 166
THR B 167
1.23A21.49
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.
2HND_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Nevirapine5 / 10
LEU A 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.54A21.65
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.
4R20_A_AERA602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		Abiraterone5 / 8
ALA B  95
ASN B 164
ILE B  64
GLY B 165
THR B 167
1.70A20.12
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.
1JLF_A_NVPA999_1
(HIV-1 RT A-CHAIN
HIV-1 RT B-CHAIN)		Nevirapine4 / 8
LEU A 190
VAL A 142
GLY A 141
TYR A 325
1.35A21.31
22.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QHS_A_CLMA999_0
(PROTEIN
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE))		Chloramphenicol5 / 12
ILE B 144
PHE B 123
PHE B 177
VAL B 128
GLN B 131
1.35A16.27
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.
6FBN_B_SAMB401_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 7
ALA B 109
ASP B  79
ILE B  80
ILE B  97
1.31A22.79
None
EDO  B 404 (-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.
2AZY_A_CHDA237_0
(PHOSPHOLIPASE A2,
MAJOR ISOENZYME)		Cholic Acid5 / 11
ILE B 296
ILE B 328
TYR B 343
GLY B 248
LEU B 346
1.67A14.36
None
None
CIT  B 408 (-3.4A)
CIT  B 408 (-3.5A)
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.
1T86_B_CAMB2422_0
(CYTOCHROME P450-CAM)		Camphor5 / 9
THR A  48
THR A 106
VAL A  54
VAL A  85
VAL A 102
1.63A22.94
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.
1MMT_A_H4BA1426_1
(PHENYLALANINE-4-HYDR
OXYLASE)		Sapropterin5 / 11
VAL B 304
LEU B 251
LEU B 300
PHE B 214
LEU B 215
1.74A22.48
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.
1G50_C_ESTC2600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU A 251
GLU A 211
LEU A 299
ARG A 199
ILE A 323
1.49A21.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TRT_A_TACA222_1
(TETRACYCLINE
REPRESSOR CLASS D)		Tetracycline5 / 11
SER A 274
ASN A  75
PRO A 344
VAL A 276
ILE A 323
1.69A18.78
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.
3UJ7_A_SAMA301_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
SER B 208
ASP B 297
ASP B 324
1.34A22.63
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.
5QGJ_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
1.02A20.77
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.
5W97_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ARG A 199
LYS A 205
PHE A 259
LEU A 252
1.24A23.35
9.54
None
None
None
EDO  A 409 ( 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.
4OJB_A_198A1001_2
(ANDROGEN RECEPTOR)		Bicalutamide4 / 7
LEU B 332
ILE B 323
ILE B 328
VAL B 276
1.18A21.33
None
None
None
EDO  B 403 (-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.
5O4Y_F_CCSF14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2)		Carbocisteine4 / 6
PHE A 259
LEU A 252
ARG A 258
GLY A 254
1.28A2.92
None
EDO  A 409 ( 4.6A)
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.
3UJ7_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU B 249
ILE B 296
ILE B 281
CYH B 293
ASP B 297
1.35A22.63
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.
6AG0_A_ACRA606_0
(ALPHA-AMYLASE)		Acarbose4 / 7
GLY B 254
GLY B 239
GLY B 247
GLY B 248
0.71A22.16
None
None
CIT  B 408 (-3.1A)
CIT  B 408 (-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.
5Z85_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
GLN B 197
PHE B 204
LEU B 215
PHE B 214
1.58A23.35
9.54
EDO  B 407 (-2.8A)
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.
6FGC_A_ACTA810_0
(GEPHYRIN)		Acetic acid3 / 3
LEU B 246
SER B 242
PHE B 241
0.89A21.38
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.
3JW5_B_TOPB208_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 10
GLU A 327
VAL A 321
ILE A 296
LEU A 298
PHE A 330
1.50A19.89
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.
3UFN_A_ROCA402_1
(HIV-1 PROTEASE)		Saquinavir4 / 5
LEU B  58
PRO B  51
VAL B  54
ASP B 107
1.35A15.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VPT_A_SAMA400_1
(VP39)		S-Adenosylmethionine3 / 3
ASP B 297
ARG B 199
ASP B 302
1.05A20.59
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.
4GRQ_C_AVLC203_1
(MACROPHAGE MIGRATION
INHIBITORY FACTOR)		Ibudilast4 / 7
PHE A 195
TYR A 325
PRO A 154
GLN A 176
1.54A15.26
EDO  A 414 (-4.8A)
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.
4POO_A_SAMA301_0
(PUTATIVE RNA
METHYLASE)		S-Adenosylmethionine5 / 12
THR A 341
HIS A 338
HIS A 250
LEU A 332
SER A 294
1.64A19.34
CIT  A 412 (-3.0A)
None
CIT  A 412 ( 3.9A)
None
PEG  A 405 (-3.0A)
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.
3W6H_A_AZMA303_1
(CARBONIC ANHYDRASE 1)		Acetazolamide4 / 8
GLN A 245
HIS A 235
THR A 341
HIS A 250
1.44A21.58
CIT  A 412 (-3.9A)
CIT  A 412 (-4.2A)
CIT  A 412 (-3.0A)
CIT  A 412 ( 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.
5IEP_A_VDYA201_1
(CDL2.3B)		Calcidiol5 / 12
LEU B  73
PHE B 124
THR B  84
ALA B  82
LEU B 134
1.46A18.16
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.
1KQW_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN)		Vitamin A5 / 12
THR A 275
THR A 196
VAL A 276
LEU A 251
ILE A 306
1.28A16.71
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.
4Z4H_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 5
GLN B 160
PRO B 158
ILE B  72
ASP B 324
1.56A17.96
EDO  B 407 (-3.5A)
EDO  B 407 ( 4.9A)
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.
5I9Y_A_1N1A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		Dasatinib5 / 12
ALA B 232
THR B 341
GLY B 239
LYS B 257
GLU B 261
1.69A23.53
None
CIT  B 408 (-3.0A)
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.
5BYK_A_OAQA302_0
(SULFOTRANSFERASE)		Oxamniquine5 / 12
PRO A  94
ILE A  80
LEU A  58
LEU A 120
THR A 106
1.55A20.11
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.
2QHF_A_ACTA502_0
(CHORISMATE SYNTHASE)		Acetic acid3 / 3
GLY A 247
ASP A 240
SER A 288
1.14A21.74
CIT  A 412 (-3.1A)
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.
2PRG_A_BRLA1_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone3 / 3
ILE A 328
ILE A 306
LEU A  76
0.94A22.39
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.
4A97_H_ZPCH1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Eszopiclone4 / 7
GLU B 261
HIS B 235
VAL B 295
PHE B 264
1.43A20.44
None
CIT  B 408 (-4.2A)
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.
1T3R_A_017A1200_2
(PROTEASE RETROPEPSIN)		Darunavir5 / 11
LEU B  58
ALA B  93
ASP B  92
PRO B  51
VAL B  54
1.19A13.90
None
None
EDO  B 401 ( 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.
4B3A_A_TACA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		Tetracycline5 / 12
SER B 274
ASN B  75
PRO B 344
VAL B 276
ILE B 323
1.57A19.73
EDO  B 403 (-2.8A)
EDO  B 403 (-4.6A)
None
EDO  B 403 (-3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HI2_A_BAXA801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Sorafenib4 / 8
ILE A  72
ILE A 100
ILE A 108
ASP A  79
0.97A21.52
None
None
None
EDO  A 407 (-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.
4DRI_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		Sirolimus5 / 11
ASP B 297
ARG B 199
VAL B 304
ILE B 306
ILE B 323
1.46A17.79
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.
6FZB_A_SRYA301_1
(STREPTOMYCIN
3''-ADENYLYLTRANSFER
ASE)		Streptomycin5 / 11
ASP A 301
GLU A 211
ASP A 297
LEU A 249
ILE A 236
1.73A21.43
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.
1Z9H_A_IMNA379_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		Indomethacin5 / 12
TYR A 325
THR A 326
VAL A 276
SER A 274
LEU A 346
1.54A21.34
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.
3IV6_D_SAMD301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		S-Adenosylmethionine5 / 12
GLY B 247
SER B 242
ASP B 283
ILE B 281
LEU B 249
1.35A22.80
CIT  B 408 (-3.1A)
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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		Chloroquine5 / 9
VAL A 102
GLY A 101
ASP A 107
ILE A 108
ILE A  80
1.74A24.43
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.
3EM3_B_478B200_2
(PROTEASE)		Amprenavir5 / 10
LEU B  58
ALA B  93
ASP B  92
PRO B  51
VAL B  54
1.35A14.63
None
None
EDO  B 401 ( 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.
3OYA_A_RLTA398_1
(PFV INTEGRASE)		Raltegravir4 / 8
GLN B 176
PRO B 158
TYR B 179
GLU B 192
1.70A20.32
None
EDO  B 407 ( 4.9A)
None
EDO  B 410 ( 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.
5B8I_C_FK5C201_3
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		Tacrolimus5 / 12
ASP B 297
ARG B 199
VAL B 304
ILE B 306
ILE B 323
1.31A16.89
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.
2EIN_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
ARG A 199
LYS A 205
PHE A 259
LEU A 252
1.20A23.35
9.54
None
None
None
EDO  A 409 ( 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.
5G6S_C_RAUC400_1
(IMINE REDUCTASE)		Rasagiline5 / 12
MET A 210
GLY A 239
VAL A 304
TYR A 238
PHE A 222
1.67A22.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TOD_A_DMOA700_1
(PROTEIN (ORNITHINE
DECARBOXYLASE))		Eflornithine4 / 6
TYR A 226
ASP A 213
PHE A 222
ASP A 301
1.71A21.02
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.
3LP1_A_NVPA701_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Nevirapine5 / 10
LEU A 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.57A21.54
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.
5ECM_D_LEUD602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		L-Leucine4 / 7
ALA A 232
VAL A 237
TYR A 238
GLU A 229
1.43A22.34
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.
1YAJ_D_BEZD2385_0
(CES1 PROTEIN)		Benzoic Acid4 / 5
LEU A 266
LEU A 252
LEU A 251
LEU A 201
1.43A23.20
None
EDO  A 409 ( 4.6A)
None
EDO  A 409 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDQ_C_CHDC308_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
PHE B 233
PHE B 214
LEU B 215
PHE B 204
1.66A23.35
9.54
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.
1LWF_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		Nevirapine5 / 9
LEU A 190
VAL A 142
VAL A 183
GLY A 141
TYR A 325
1.56A20.27
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.
2XRZ_A_ACTA1467_0
(DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE)		Acetic acid4 / 5
ARG B 199
ASP B 297
ILE B 296
GLU B 211
1.61A23.29
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.
1G50_B_ESTB1600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 12
LEU A 251
GLU A 211
LEU A 299
ARG A 199
ILE A 323
1.49A21.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XXI_A_LSNA501_2
(CYTOCHROME P450 2C9)		Losartan4 / 4
PHE A 330
LEU A 228
LEU A 251
VAL A 339
1.68A21.38
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.
5QGX_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
1.00A20.77
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.
3W67_D_VIVD301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E5 / 12
PHE A 342
ILE A 328
ILE A 296
LEU A 251
ILE A 236
1.27A22.59
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.
5LJB_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
PHE B 264
LEU B 252
PHE B 204
TYR B 238
MET B 219
1.77A17.25
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.
2FUM_C_MIXC2539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		Mitoxantrone5 / 12
LEU B 251
GLY B 254
VAL B 237
VAL B 304
MET B 210
1.19A22.43
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.
2UVN_A_ECNA1409_1
(CYTOCHROME P450 130)		Econazole5 / 12
LEU B  76
PRO B 191
THR B 193
THR B 322
THR B 275
1.47A22.20
None
None
EDO  B 410 (-4.7A)
EDO  B 412 (-3.9A)
EDO  B 403 (-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.
6BSI_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT)		Efavirenz5 / 10
LEU A 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.60A21.08
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.
4FGJ_A_1PQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Primaquine5 / 9
GLY B 248
GLY B 247
PHE B 264
ILE B 281
PHE B 241
1.65A21.81
CIT  B 408 (-3.5A)
CIT  B 408 (-3.1A)
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.
2QR2_B_VK3B236_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		Menadione4 / 5
GLY B 248
GLY B 247
PHE B 264
PHE B 241
1.63A21.81
CIT  B 408 (-3.5A)
CIT  B 408 (-3.1A)
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.
5EWJ_D_QELD503_1
(NMDA GLUTAMATE
RECEPTOR SUBUNIT
GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B)		Ifenprodil5 / 12
TYR B 279
ILE B 270
PHE B 269
THR B 167
GLU B  69
1.43A21.77
19.55
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.
4XI3_A_29SA601_1
(ESTROGEN RECEPTOR)		Bazedoxifene5 / 12
THR A 341
ALA A 232
GLU A 234
LEU A 228
LEU A 332
1.54A21.29
CIT  A 412 (-3.0A)
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.
1FKF_A_FK5A108_1
(FK506 BINDING
PROTEIN)		Tacrolimus5 / 11
ASP B 297
ARG B 199
VAL B 304
ILE B 306
ILE B 323
1.23A15.48
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.
1HK2_A_T44A3004_1
(SERUM ALBUMIN)		Levothyroxine5 / 7
PHE A 214
ALA A 232
GLU A 234
LEU A 228
VAL A 304
1.48A20.67
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.
3LP0_A_NVPA701_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Nevirapine5 / 9
LEU A 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.56A21.54
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.
1QAB_E_RTLE1_0
(PROTEIN (RETINOL
BINDING PROTEIN))		Vitamin A5 / 11
PHE A 303
ALA A 232
LEU A 312
GLN A 310
HIS A 250
1.76A18.06
None
None
None
None
CIT  A 412 ( 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.
4DTA_B_ADNB401_1
(APH(2'')-ID)		Adenosine4 / 8
ILE B  97
ILE B  80
LEU B 120
ILE B 108
1.02A22.83
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.
3G2O_A_SAMA500_1
(PCZA361.24)		S-Adenosylmethionine3 / 3
ARG B 199
GLU B  69
ASP B  88
1.74A25.56
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.
5QGM_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
1.00A20.77
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.
4PO0_A_NPSA602_1
(SERUM ALBUMIN)		Naproxen4 / 8
LYS B 257
ALA B 256
LEU B 252
LEU B 201
0.92A19.09
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.
4R20_B_AERB602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		Abiraterone6 / 9
ALA B  95
ASN B 164
ILE B  64
GLY B 165
THR B 167
VAL B  67
1.73A20.12
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.
3HRD_B_NIOB5661_1
(NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT
NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT)		Niacin5 / 8
ILE A  80
ALA A  82
PHE A 124
THR A 113
ALA A 138
1.60A21.95
22.16
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		Dronabinol4 / 5
TYR A 238
ILE A 296
LEU A 251
PHE A 214
1.79A19.84
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.
6FNA_B_BEZB302_0
(14-3-3 PROTEIN
ZETA/DELTA)		Benzoic Acid3 / 3
MET B 210
GLN B 209
ARG B 225
1.65A23.66
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.
4Y8W_C_STRC603_2
(CYTOCHROME P450
21-HYDROXYLASE)		Progesterone3 / 3
LEU B 120
VAL B 183
ASP B 184
0.92A20.16
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.
6E43_A_BEZA502_0
(INDOLEAMINE
2,3-DIOXYGENASE 1)		Benzoic Acid4 / 6
VAL A 276
LEU A 252
LEU A 251
HIS A 250
1.31A23.09
None
EDO  A 409 ( 4.6A)
None
CIT  A 412 ( 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.
1QAB_F_RTLF2_0
(PROTEIN (RETINOL
BINDING PROTEIN))		Vitamin A5 / 12
ALA A 138
ALA A 118
LEU B 120
GLY A 141
PHE A 124
1.62A18.06
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.
4J24_B_ESTB600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
LEU A 251
GLU A 211
LEU A 299
ARG A 199
ILE A 323
1.47A19.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1B_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid3 / 3
ARG B 199
PHE B 195
LEU B 299
0.97A23.35
None
EDO  B 410 (-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.
6CZM_A_HISA402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		L-Histidine5 / 10
GLY B 337
LEU B 312
VAL B 315
CYH B 334
LEU B 332
1.33A21.68
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.
3TNE_A_RITA401_1
(SECRETED ASPARTIC
PROTEASE)		Ritonavir5 / 12
ILE A 253
ASP A 301
SER A 208
ASP A 213
ILE A 306
1.50A23.19
None
Potential target for repurposing, i.e. matched protein structure has less than 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_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		Benzoic Acid4 / 7
PHE A 124
ALA A  81
PRO A 112
LEU A 120
1.61A21.18
0.72
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.
5QHG_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
1.02A20.77
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.
5TWJ_C_SAMC201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		S-Adenosylmethionine5 / 12
ASP A 107
ILE A 108
SER A  98
LEU A 120
VAL A 122
1.41A20.82
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.
1SDT_B_MK1B902_2
(PROTEASE RETROPEPSIN)		Indinavir6 / 12
ALA A  81
ASP A 125
VAL A  67
ILE A 144
VAL A  70
ILE A  86
1.68A14.21
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.
3V3O_B_T1CB405_1
(TETX2 PROTEIN)		Tigecycline5 / 12
PHE B 241
HIS B 235
GLY B 247
ALA B 256
GLY B 254
1.48A23.63
None
CIT  B 408 (-4.2A)
CIT  B 408 (-3.1A)
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.
1JLB_A_NVPA999_1
(HIV-1 RT A-CHAIN)		Nevirapine5 / 8
LEU A 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.44A21.48
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.
4PCU_A_SAMA603_0
(CYSTATHIONINE
BETA-SYNTHASE)		S-Adenosylmethionine5 / 7
PHE B 124
ASP B 125
GLN B 131
THR B  84
ILE B  86
1.75A21.48
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.
4KTV_A_ADNA403_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		Adenosine5 / 12
HIS A 235
ASP A 240
SER A 244
ASP A 283
ILE A 281
1.57A22.79
CIT  A 412 (-4.2A)
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.
1LQU_B_ACTB1425_0
(FPRA)		Acetic acid3 / 3
ALA B  81
HIS B  96
VAL B  85
1.24A22.36
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.
6JOG_A_ASCA202_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		Vitamin C3 / 3
ASN A 178
PRO A 154
GLN A 153
1.74A19.09
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.
4F93_B_SANB3004_1
(U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE)		Sulfanilamide4 / 8
HIS B  15
ASN B   9
GLN B  19
GLY B  18
1.51A12.11
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.
4QOI_B_ML1B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Melatonin5 / 11
GLY A 248
GLY A 247
PHE A 264
ILE A 281
PHE A 241
1.43A22.07
CIT  A 412 (-3.4A)
CIT  A 412 (-3.1A)
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.
2YLD_A_ASCA130_0
(CYTOCHROME C')		Vitamin C4 / 5
ALA A 232
GLY A 337
CYH A 334
LYS A 335
1.36A17.07
None
EDO  A 404 ( 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.
5QGY_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
1.00A20.77
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.
3NV6_A_CAMA422_0
(CYTOCHROME P450)		Camphor3 / 3
GLY A 254
ILE A 296
VAL A 295
0.81A23.31
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.
2OK6_H_BEZH2001_0
(AROMATIC AMINE
DEHYDROGENASE, LARGE
SUBUNIT
AROMATIC AMINE
DEHYDROGENASE, SMALL
SUBUNIT)		Benzoic Acid5 / 10
PHE B 264
LEU B 255
GLY B 239
LEU B 246
ASP B 283
1.75A23.04
17.21
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.
1DY4_A_SNPA437_1
(EXOGLUCANASE 1)		Propranolol5 / 12
TYR B 325
TYR B 179
GLN B 160
THR B 167
ASP B 273
1.61A21.04
None
None
EDO  B 407 (-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.
6GSD_A_STRA401_0
(PROGESTERONE
5-BETA-REDUCTASE)		Progesterone5 / 12
VAL B 276
PHE B 303
ILE B 296
VAL B 321
ILE B 323
1.54A22.45
EDO  B 403 (-3.9A)
None
None
EDO  B 412 (-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.
5AXA_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
GLU B 265
THR B 286
HIS B 243
LEU B 246
1.73A22.00
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.
5X1F_P_CHDP304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
ARG A 199
LYS A 205
PHE A 259
LEU A 252
1.24A23.35
9.54
None
None
None
EDO  A 409 ( 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.
1OC3_A_BEZA201_0
(PEROXIREDOXIN 5)		Benzoic Acid4 / 8
PRO B 112
CYH B 117
PHE B 124
THR B 113
1.48A20.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DJE_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		Levomefolic acid5 / 12
GLU A  69
LEU A 346
SER A 198
GLN A 197
ARG A 207
1.66A19.48
None
None
None
EDO  A 413 (-2.9A)
EDO  A 413 ( 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.
1KGL_A_RTLA175_0
(CELLULAR
RETINOL-BINDING
PROTEIN TYPE I)		Vitamin A5 / 12
PHE B 303
PRO B 344
SER B 294
GLY B 239
LEU B 332
1.51A17.68
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.
3HVT_A_NVPA557_1
(HIV-1 REVERSE
TRANSCRIPTASE
(SUBUNIT P66))		Nevirapine5 / 9
LEU A 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.40A21.60
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.
6ECT_A_SAMA1300_0
(STIE PROTEIN)		S-Adenosylmethionine5 / 12
GLY A  77
ASP A  79
ILE A  72
VAL A 142
ILE A 144
1.50A28.97
PEG  A 406 ( 3.4A)
EDO  A 407 (-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.
3HEG_A_BAXA1_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		Sorafenib5 / 6
VAL A 237
ILE A 296
HIS A 250
ILE A 236
LEU A 249
1.77A21.60
None
None
CIT  A 412 ( 3.9A)
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.
1IKV_A_EFZA2000_1
(POL POLYPROTEIN)		Efavirenz5 / 9
LEU A 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.59A21.61
None
Potential target for repurposing, i.e. matched protein structure has less than 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 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.54A21.08
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.
3TKW_B_017B401_2
(PROTEASE)		Darunavir6 / 12
ALA A  81
ASP A 125
VAL A  67
ILE A 144
VAL A  70
ILE A  86
1.71A15.04
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.
2KCE_A_D16A566_2
(THYMIDYLATE SYNTHASE)		Raltitrexed3 / 3
HIS A 250
ILE A 296
LEU A 346
1.08A21.98
CIT  A 412 ( 3.9A)
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.
5GPG_A_RAPA301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP3)		Sirolimus5 / 11
ASP A 297
LEU A 300
VAL A 304
ILE A 306
ILE A 323
1.39A17.89
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.
3W68_D_VIVD301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E5 / 12
VAL B 156
LEU B 190
ILE B 144
VAL B 142
LEU B 143
1.33A22.59
EDO  B 406 ( 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.
1H4O_B_BEZB1162_0
(PEROXIREDOXIN 5)		Benzoic Acid4 / 8
PRO B 112
CYH B 117
PHE B 124
THR B 113
1.49A20.81
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.
6MKE_A_FK5A201_0
(PEPTIDYLPROLYL
ISOMERASE)		Tacrolimus5 / 12
ASP B 297
ARG B 199
VAL B 304
ILE B 306
ILE B 323
1.37A16.16
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.
3DCJ_A_THHA401_0
(PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN)		Levomefolic acid5 / 12
ILE B 116
ASN B 140
THR A 115
VAL B 122
PRO A 119
1.46A19.53
None
Potential target for repurposing, i.e. matched protein structure has less than 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_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Nevirapine4 / 8
LEU A 190
VAL A 142
VAL A 183
TYR A 325
1.30A21.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YDQ_B_HFGB802_0
(PROLINE--TRNA LIGASE)		Halofuginone5 / 12
PHE A   8
GLU A  22
VAL A   6
THR A  34
GLY A  38
1.74A21.29
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.
2W3A_A_TOPA1190_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 11
GLU A 265
ILE A 270
PRO A 271
VAL A 292
THR A 282
1.43A19.03
None
None
None
PEG  A 405 (-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.
6NMP_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ARG A 199
LYS A 205
PHE A 259
LEU A 252
1.17A23.35
9.54
None
None
None
EDO  A 409 ( 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.
4L1W_B_STRB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		Progesterone4 / 6
TYR A 194
VAL A 321
VAL A 319
LEU A 251
1.37A22.92
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.
5TOA_A_ESTA601_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
ALA A 232
GLU A 234
LEU A 228
ILE A 306
LEU A 332
1.40A19.89
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.
2VCT_D_ASDD1223_1
(GLUTATHIONE
S-TRANSFERASE A2)		4-Androstenedione4 / 7
TYR A 194
ILE A 323
LEU A 332
PHE A 330
1.31A21.98
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.
3LBD_A_9CRA424_1
(RETINOIC ACID
RECEPTOR GAMMA)		Alitretinoin6 / 12
LEU B 251
ILE B 253
ARG B 199
PHE B 222
ALA B 232
ILE B 307
1.77A25.20
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.
4V01_A_0LIA1776_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		Ponatinib5 / 9
VAL A 276
ILE A 306
CYH A 334
LEU A 298
ILE A 307
1.77A21.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KOE_H_TR6H101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B
E-SITE DNA4)		Trovafloxacin4 / 7
ARG A 258
SER A 262
GLY A 247
ASP A 240
1.18A20.76
21.41
None
None
CIT  A 412 (-3.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MQT_A_STIA302_1
(DEOXYCYTIDINE KINASE)		Imatinib5 / 12
ILE B 306
VAL B 339
PHE B 342
SER B 294
CYH B 293
1.75A23.30
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.
1FKO_A_EFZA999_1
(HIV-1 RT, A-CHAIN)		Efavirenz5 / 10
LEU A 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.61A21.72
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.
4UCI_B_ADNB2415_1
(RNA-DIRECTED RNA
POLYMERASE L)		Adenosine4 / 7
GLU A 224
PHE A 222
LYS A 227
TYR A 226
1.70A22.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NXU_B_RITB600_2
(CYTOCHROME P450 3A4)		Ritonavir5 / 9
ILE A 236
LEU A 300
PHE A 214
THR A 196
LEU A 266
1.58A21.78
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.
1SG9_C_SAMC303_0
(HEMK PROTEIN)		S-Adenosylmethionine5 / 12
ALA A  95
VAL A 166
ASN A  63
PRO A  66
ALA A 161
1.49A25.34
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.
1LW0_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		Nevirapine5 / 10
LEU A 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.51A21.78
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.
5DXE_A_ESTA1000_1
(ESTROGEN RECEPTOR)		Estradiol4 / 8
LEU A 251
GLU A 211
LEU A 299
ARG A 199
1.29A23.30
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.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)		Clopidogrel6 / 11
ILE B  80
ILE B 100
ALA B 138
ALA B 118
THR B 115
ILE B 116
1.71A21.16
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.
5NO9_D_95ZD302_1
(25 KDA PROTEIN
ELICITOR)		Glucosamine4 / 7
GLY B 248
HIS B 235
HIS B 243
ASP B 240
1.53A19.07
CIT  B 408 (-3.5A)
CIT  B 408 (-4.2A)
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.
4GH8_A_MTXA201_2
(DIHYDROFOLATE
REDUCTASE)		Methotrexate3 / 3
LYS B  65
ILE B  86
THR B 167
1.38A17.93
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.
5TUI_B_CTCB405_0
(TETRACYCLINE
DESTRUCTASE TET(50))		Chlortetracycline6 / 12
GLY A 141
PHE A 135
LEU A 190
GLY A 157
GLY A 126
VAL A 149
1.48A25.11
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.
2OA1_B_ADNB2005_1
(TRYPTOPHAN
HALOGENASE)		Adenosine4 / 7
GLY B 248
GLY B 247
VAL B 295
LEU B 255
1.17A21.50
CIT  B 408 (-3.5A)
CIT  B 408 (-3.1A)
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.
2X2N_D_X2ND1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		Posaconazole5 / 12
ILE B  86
ALA A  95
ALA A  93
THR A  48
LEU A  50
1.66A21.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FBX_A_ACTA608_0
(PUTATIVE
PHOSPHOLIPASE B-LIKE
2)		Acetic acid3 / 3
GLU B  57
VAL B 102
CYH B 103
1.26A21.05
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.
3IA4_C_MTXC164_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
GLN B 310
PHE B 303
SER B 294
ILE B 296
LEU B 298
1.72A16.94
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.
3D2T_B_1FLB500_1
(TRANSTHYRETIN)		Diflunisal4 / 6
ALA A   7
SER A  26
THR A  34
VAL A  11
1.40A16.34
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.
2OAX_E_SNLE5001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU B 346
ASN B 278
LEU B 251
LEU B 249
PHE B 269
1.71A21.69
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.
2HNY_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Nevirapine5 / 10
LEU A 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.53A21.65
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.
4QVY_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 10
THR A 113
ALA A  82
ALA A  81
GLY A 130
ASP A 125
1.62A20.16
20.73
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.
3NU3_B_478B401_1
(PROTEASE)		Amprenavir5 / 12
LEU B  58
ALA B  93
ASP B  92
PRO B  51
VAL B  54
1.24A14.21
None
None
EDO  B 401 ( 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.
3P4W_B_DSFB319_1
(GLR4197 PROTEIN)		Desflurane5 / 9
PRO B 344
ILE B 323
ILE B 296
VAL B 321
ILE B 306
1.29A20.16
None
None
None
EDO  B 412 (-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.
5KC4_E_RBFE201_2
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin3 / 3
LYS B  90
ASP B  92
ILE B 270
1.27A20.42
None
EDO  B 401 ( 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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		Ergocalciferol3 / 3
LEU B 201
GLU B 265
ILE B 281
0.87A21.02
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.
5U4S_B_BEZB301_0
(PUTATIVE SHORT CHAIN
DEHYDROGENASE)		Benzoic Acid4 / 8
ASN A 278
SER A 274
LEU A 346
PRO A 271
1.30A22.73
PEG  A 405 (-3.9A)
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		GENTAMICIN C1A4 / 7
ASP B 297
GLU B 211
ASP B 301
GLU B 305
1.59A20.68
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.
6CBZ_A_ESTA601_1
(ESTROGEN RECEPTOR)		Estradiol4 / 8
LEU A 251
GLU A 211
LEU A 299
ARG A 199
1.27A23.82
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.
5OV9_B_CVIB602_0
(ACETYLCHOLINESTERASE)		Gentian Violet4 / 8
LEU B 190
TYR B 325
THR B 193
VAL B 156
1.23A20.88
None
None
EDO  B 410 (-4.7A)
EDO  B 406 ( 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.
1ONI_I_BEZI518_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		Benzoic Acid4 / 7
GLY A 126
PRO A  68
PHE A 177
ASN A 178
1.28A16.29
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.
2ZXW_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
ARG A 199
LYS A 205
PHE A 259
LEU A 252
1.18A23.35
9.54
None
None
None
EDO  A 409 ( 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.
1IKW_A_EFZA2000_1
(POL POLYPROTEIN)		Efavirenz5 / 10
LEU A 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.64A21.48
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.
1N49_D_RITD401_2
(PROTEASE)		Ritonavir4 / 6
ASN B  46
ASP B  92
ILE B  97
PRO A  51
1.35A14.17
None
EDO  B 401 ( 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.
2AVO_B_MK1B902_2
(POL POLYPROTEIN)		Indinavir6 / 12
ALA A  81
ASP A 125
VAL A  67
ILE A 144
VAL A  70
ILE A  86
1.68A13.93
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.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 12
LEU A 249
LEU A 215
PHE A 222
ILE A 253
ALA A 256
1.49A22.00
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.
2B25_A_SAMA601_0
(HYPOTHETICAL PROTEIN)		S-Adenosylmethionine5 / 12
THR B 341
GLY B 247
HIS B 243
ASP B 283
ILE B 281
1.53A21.01
CIT  B 408 (-3.0A)
CIT  B 408 (-3.1A)
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.
1WRL_E_TFPE212_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Trifluoperazine4 / 7
PHE B 233
PHE B 222
MET B 210
SER B 208
0.93A14.68
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.
3WRK_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 5
PHE A 303
GLY A 248
ILE A 296
VAL A 295
1.39A23.28
None
CIT  A 412 (-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.
4IKJ_B_SUZB201_1
(TRANSTHYRETIN)		Sulindac5 / 8
SER A 244
LEU A 249
LEU A 246
SER A 288
THR A 286
1.62A16.34
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.
3UJ7_B_SAMB302_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 5
SER B 208
ASP B 297
ASP B 324
ILE B 323
1.31A22.63
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.
4DQF_B_017B101_1
(ASPARTYL PROTEASE)		Darunavir5 / 12
LEU B  58
ALA B  93
ASP B  92
PRO B  51
VAL B  54
1.22A13.93
None
None
EDO  B 401 ( 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.
3V35_A_NTIA317_1
(ALDOSE REDUCTASE)		Nitazoxanide4 / 8
VAL A  78
HIS A  96
PHE A 123
PRO A 112
1.73A24.70
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.
3K9W_A_ACTA170_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		Acetic acid3 / 3
SER A 288
GLY A 287
THR A 286
1.02A20.50
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.
1FKP_A_NVPA999_1
(HIV-1 RT, A-CHAIN)		Nevirapine5 / 11
LEU A 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.55A21.72
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.
2XPW_A_OTCA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		Oxytetracycline5 / 12
SER B 274
ASN B  75
PRO B 344
VAL B 276
ILE B 323
1.47A19.46
EDO  B 403 (-2.8A)
EDO  B 403 (-4.6A)
None
EDO  B 403 (-3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LIN_A_TFPA153_1
(CALMODULIN)		Trifluoperazine5 / 8
ILE B 323
LEU B 298
ILE B 306
GLU B 305
VAL B 321
1.62A19.11
None
None
None
None
EDO  B 412 (-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.
5QGV_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
1.00A20.77
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.
4K0B_B_SAMB504_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		S-Adenosylmethionine4 / 8
ARG B 139
ASP B  79
LEU B 120
ILE B 108
1.21A24.44
None
EDO  B 404 (-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.
3ZBF_A_VGHA3000_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS)		Crizotinib5 / 12
LEU A 246
GLY A 254
LEU A 249
GLY A 247
ASP A 240
1.05A25.52
None
None
None
CIT  A 412 (-3.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XZ5_C_ACHC1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Acetylcholine4 / 8
ILE A 307
TYR A 343
VAL A 319
CYH A 334
1.56A20.89
None
CIT  A 412 (-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.
3UVV_B_9CRB501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE B 236
ALA B 232
PHE B 233
ILE B 306
LEU B 332
1.45A22.43
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_B_W9TB513_1
(HEMOLYTIC LECTIN
CEL-III)		Lactulose4 / 6
THR A  84
ASN A  83
ASP A 125
ILE A 144
1.58A20.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_B_FFOB403_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 10
PHE B 233
ILE B 236
LEU B 346
LEU B 249
GLY B 247
1.59A22.08
None
None
None
None
CIT  B 408 (-3.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OGR_E_ADNE401_1
(CYCLIN-DEPENDENT
KINASE 9)		Adenosine4 / 7
GLY A 126
ALA A  82
ASP A 129
ASP A 133
1.22A22.51
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.
5G6S_H_RAUH400_1
(IMINE REDUCTASE)		Rasagiline5 / 10
MET A 210
GLY A 239
VAL A 304
TYR A 238
PHE A 222
1.65A22.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		Erlotinib5 / 12
ILE A 253
SER A 208
PHE A 233
ASP A 301
ILE A 212
1.70A22.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FKE_A_FK5A108_1
(FK506 BINDING
PROTEIN)		Tacrolimus5 / 11
ASP B 297
ARG B 199
VAL B 304
ILE B 306
ILE B 323
1.27A15.48
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.
6B68_D_9F2D400_2
(BETA-LACTAMASE)		Ceftriaxone4 / 4
CYH B 117
ILE A 116
PRO A 119
THR B 121
1.42A22.57
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.
4QW3_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 10
THR A 113
ALA A  82
ALA A  81
GLY A 130
ASP A 125
1.62A20.16
20.73
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.
5NU7_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 4)		Vitamin A4 / 8
LEU B 332
VAL B 319
TYR B 231
HIS B 338
1.14A18.92
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.
3N8Y_B_SALB900_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Salicylic acid4 / 5
VAL B 122
LEU B 120
ILE B 108
ALA B 109
1.36A20.63
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.
3BUR_A_TESA339_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		Testosterone5 / 10
ILE B 144
THR B  99
ASN B  83
VAL B 102
VAL B  85
1.53A22.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BWL_C_MN9C1297_0
(N-ACETYLNEURAMINATE
LYASE)		N-Acetyl-D-glucosamine5 / 10
LEU B 228
GLY B 239
TYR B 238
GLY B 248
PHE B 303
1.57A26.42
None
None
None
CIT  B 408 (-3.5A)
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.
5G6S_D_RAUD400_1
(IMINE REDUCTASE)		Rasagiline5 / 10
VAL A 304
TYR A 238
PHE A 222
MET A 210
GLY A 239
1.67A22.52
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Amlodipine4 / 8
ILE B  80
ILE B  97
LEU B  58
VAL B 102
1.06A21.93
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.
4EJJ_D_NCTD501_1
(CYTOCHROME P450 2A6)		Nicotine4 / 7
ASN A  12
GLY A  14
LEU A  43
PHE A  56
1.12A23.30
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.
5QH7_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
1.00A20.77
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.
5HBM_A_NVPA601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Nevirapine5 / 11
LEU A 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.51A21.57
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.
1DTL_A_BEPA204_1
(CARDIAC TROPONIN C)		Bepridil5 / 11
PHE B 264
ILE B 281
LEU B 246
VAL B 295
LEU B 215
1.48A20.27
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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		Boceprevir5 / 12
GLN A 197
ILE A  72
SER A 198
ALA A 161
VAL A  67
1.45A18.36
EDO  A 413 (-2.9A)
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.
5DSG_A_0HKA1201_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		Tiotropium3 / 3
ASN B 278
LEU B 255
PHE B 280
0.91A20.27
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.
2DG4_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		Sirolimus5 / 11
TYR A 231
GLU A 340
ILE A 236
ILE A 306
PHE A 233
1.58A15.48
EDO  A 408 (-4.3A)
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.
4C49_B_HCYB1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		Hydrocortisone5 / 12
VAL B 319
PHE B 303
ILE B 306
PHE B 342
HIS B 250
1.73A24.11
None
None
None
None
CIT  B 408 (-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.
6HU9_Q_PCFQ202_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL
CYTOCHROME C OXIDASE
SUBUNIT 1)		Colfosceril palmitate4 / 6
TYR B 179
ILE B 144
ALA B 161
ASP B 324
1.52A21.77
17.39
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.
6EW0_B_TA1B501_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL A  78
LEU A  58
LEU A  50
HIS A  96
ALA A  81
1.36A21.01
None
Potential target for repurposing, i.e. matched protein structure has less than 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_1
(HIV-1 PROTEASE)		Amprenavir6 / 12
ALA A  81
ASP A 125
VAL A  67
ILE A 144
VAL A  70
ILE A  86
1.74A14.21
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.
3IA4_B_MTXB164_2
(DIHYDROFOLATE
REDUCTASE)		Methotrexate4 / 4
PHE A 330
LYS A 320
ILE A 296
THR A 341
1.64A16.94
None
None
None
CIT  A 412 (-3.0A)
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.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)		Estriol5 / 12
LEU A 251
GLU A 211
LEU A 299
ARG A 199
ILE A 323
1.44A23.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AFS_A_TESA325_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		Testosterone4 / 7
LEU A 190
TYR A 325
ASN A 178
TYR A 180
1.42A20.70
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.
2JAP_A_J01A1249_1
(CLAVALDEHYDE
DEHYDROGENASE)		Clavulanate5 / 12
LEU A 190
ILE A 144
VAL A 142
TYR A 180
TYR A 325
1.42A19.68
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.
3UF8_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		Tacrolimus5 / 10
ASP B 297
ARG B 199
VAL B 304
ILE B 306
ILE B 323
1.22A23.87
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.
1YAT_A_FK5A108_1
(FK506 BINDING
PROTEIN)		Tacrolimus5 / 11
ASP B 297
ARG B 199
VAL B 304
ILE B 306
ILE B 323
1.24A14.88
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.
5MVM_C_PFLC408_1
(PROTON-GATED ION
CHANNEL)		Propofol5 / 11
ILE B 116
PRO A 119
ALA B 118
LEU B 120
ILE A 108
1.32A21.09
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.
5QGU_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
1.01A20.77
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.
3P4W_D_DSFD319_1
(GLR4197 PROTEIN)		Desflurane5 / 10
PRO B 344
ILE B 323
ILE B 296
VAL B 321
ILE B 306
1.30A20.16
None
None
None
EDO  B 412 (-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.
1EPB_A_9CRA165_2
(EPIDIDYMAL RETINOIC
ACID-BINDING PROTEIN)		Alitretinoin4 / 7
PHE A 135
ALA A  81
VAL A  78
TYR A 179
1.07A22.05
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.
4HLA_A_017A200_2
(PROTEASE)		Darunavir5 / 11
LEU B  58
ALA B  93
ASP B  92
PRO B  51
VAL B  54
1.33A12.30
None
None
EDO  B 401 ( 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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		Imiquimod4 / 7
LEU B 143
ILE B 144
THR B 145
PHE B 123
1.33A19.01
None
None
EDO  B 413 (-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.
2IEN_B_017B402_2
(PROTEASE)		Darunavir5 / 12
LEU B  58
ALA B  93
ASP B  92
PRO B  51
VAL B  54
1.30A14.21
None
None
EDO  B 401 ( 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.
4CTK_C_SAMC1263_0
(POLYPROTEIN)		S-Adenosylmethionine5 / 12
GLY A 254
GLY A 239
THR A 341
VAL A 339
ILE A 307
1.33A22.72
None
None
CIT  A 412 (-3.0A)
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.
4PD5_A_GEOA501_1
(NUPC FAMILY PROTEIN)		Gemcitabine5 / 12
ALA A   7
VAL A   6
PHE A  56
ASN A  46
ILE A  27
1.44A24.77
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.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		Estrone5 / 12
THR B 341
ALA B 232
LEU B 312
LEU B 228
LEU B 332
1.60A23.00
CIT  B 408 (-3.0A)
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.
3AG2_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 7
ILE A  86
LEU A  73
PHE A 123
THR A 175
1.28A21.40
9.54
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.
2W9S_C_TOPC1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		Trimethoprim5 / 10
ILE B 307
ILE B 306
SER B 294
ILE B 296
PHE B 303
1.63A18.73
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.
4L64_A_C2FA802_0
(5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE)		Levomefolic acid4 / 7
SER B 162
TYR B  89
ARG B  62
VAL B  67
1.79A21.49
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.
3FL9_D_TOPD200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		Trimethoprim5 / 9
MET B 219
LEU B 249
ILE B 253
LEU B 300
PHE B 214
1.74A19.95
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.
4QWP_A_GCSA301_1
(CHITOSANASE)		Glucosamine3 / 3
TYR B 325
GLY B 157
PRO B 158
0.93A19.41
None
None
EDO  B 407 ( 4.9A)
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.
5OY0_A_PQNA841_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 11
PHE B 124
ARG B 139
ALA B 118
GLY B 141
LEU B  50
1.55A18.88
8.15
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.
1WRL_C_TFPC208_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Trifluoperazine4 / 5
PHE A 233
LEU A 251
MET A 210
SER A 208
1.21A14.68
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.
1U18_A_HSMA401_1
(NITROPHORIN 1)		Histamine4 / 4
ASP A 301
LEU A 251
LEU A 298
LEU A 300
1.58A20.27
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.
4NDN_A_SAMA407_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
ALA B 109
ASP B  79
ILE B  80
ILE B  97
1.29A22.79
None
EDO  B 404 (-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.
1RMT_C_ADNC1503_1
(CLASS B ACID
PHOSPHATASE)		Adenosine4 / 8
PHE A 233
LEU A 300
ASP A 301
TYR A 226
1.13A20.73
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.
5G44_A_YTZA1512_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		Sulfathiazole5 / 9
GLN B 131
LEU B 134
ALA B  81
VAL B  78
ALA B 138
1.74A22.75
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.
6CLX_A_SAMA401_0
(O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ALA B  82
GLY B 126
SER B 148
VAL B 128
ASP B 133
1.47A22.28
None
EDO  B 413 ( 4.8A)
EDO  B 405 ( 2.6A)
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.
1WRL_A_TFPA204_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Trifluoperazine5 / 7
PHE B 233
LEU B 251
PHE B 222
MET B 210
SER B 208
1.41A14.68
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.
5WAU_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
PHE B 233
PHE B 214
LEU B 215
PHE B 204
1.66A23.35
9.54
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		Tiopronin4 / 7
HIS B 250
CYH B 293
LYS B 290
GLY B 247
1.49A19.41
CIT  B 408 (-3.9A)
None
CIT  B 408 (-3.0A)
CIT  B 408 (-3.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EIG_A_MTXA200_2
(DIHYDROFOLATE
REDUCTASE)		Methotrexate4 / 5
ASP A 273
ILE A  72
VAL A  78
THR A  84
1.28A19.28
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.
3VKX_A_T3A301_1
(PROLIFERATING CELL
NUCLEAR ANTIGEN)		Liothyronine4 / 6
LEU B  76
GLN B 189
PRO B 191
TYR B 325
1.57A23.06
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.
4DZ2_A_FK5A200_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		Tacrolimus5 / 11
ASP B 297
ARG B 199
VAL B 304
ILE B 306
ILE B 323
1.05A16.77
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.
6F88_B_STRB502_1
(CYTOCHROME P450
CYP260A1)		Progesterone5 / 6
ALA B   0
LEU B  58
SER B 104
THR B  99
ASN B  83
1.80A20.00
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.
3HUO_A_PNNA302_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		Benzylpenicillin4 / 6
THR B  48
LEU B  50
ALA B  93
PRO B  94
1.47A20.54
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.
4ZVM_A_DM2A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Epirubicin5 / 12
GLY B 248
GLY B 247
PHE B 264
ILE B 281
PHE B 241
1.59A21.81
CIT  B 408 (-3.5A)
CIT  B 408 (-3.1A)
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.
3SUF_D_SUED1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir4 / 5
GLN A 310
PHE A 342
TYR A 194
LYS A 317
1.52A19.57
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.
1ISM_B_NCAB305_0
(BONE MARROW STROMAL
CELL ANTIGEN 1)		Nicotinamide4 / 7
LEU A 312
SER A 313
ASP A 311
PHE A 342
1.58A20.05
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.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		Edetic Acid4 / 6
THR B 286
ARG B 258
ILE B 281
GLU B 265
1.58A21.37
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.
4B3O_A_EFZA1557_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Efavirenz5 / 9
LEU A 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.54A20.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RMJ_A_NCAA402_0
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-2)		Nicotinamide5 / 7
ILE A 236
PHE A 214
LEU A 300
LEU A 228
ILE A 223
1.69A22.89
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.
5QH5_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
1.01A20.77
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.
1PCG_A_ESTA1_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU A 251
GLU A 211
LEU A 299
ARG A 199
ILE A 323
1.39A24.31
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.
3ARU_A_PNXA606_1
(CHITINASE A)		Pentoxifylline4 / 7
GLY B 165
ASP B  88
TYR B  89
ARG B  91
1.47A22.62
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.
5QHF_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
0.99A20.77
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.
1OLT_A_SAMA501_0
(OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE)		S-Adenosylmethionine5 / 12
ASP B 184
GLY B 185
ARG B 139
PHE B 135
ALA B  82
1.55A22.56
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.
3KK6_B_CELB1701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		Celecoxib4 / 6
VAL B 173
ILE B  86
ALA B 161
LEU B 168
1.18A20.63
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.
2V0Z_O_C41O1327_2
(RENIN)		Aliskiren4 / 8
TYR B 343
SER B 274
THR B 275
LEU B 298
1.37A22.47
CIT  B 408 (-3.4A)
EDO  B 403 (-2.8A)
EDO  B 403 (-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.
2VKE_A_TACA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		Tetracycline5 / 11
SER B 274
ASN B  75
PRO B 344
VAL B 276
ILE B 323
1.55A19.46
EDO  B 403 (-2.8A)
EDO  B 403 (-4.6A)
None
EDO  B 403 (-3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FKJ_A_FK5A108_1
(FK506 BINDING
PROTEIN)		Tacrolimus5 / 11
ASP B 297
ARG B 199
VAL B 304
ILE B 306
ILE B 323
1.27A15.48
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.
6B89_A_NOVA403_2
(LIPOPOLYSACCHARIDE
EXPORT SYSTEM
ATP-BINDING PROTEIN
LPTB)		Novobiocin4 / 6
PHE B 214
LEU B 215
ALA B 256
GLN B 209
1.46A21.37
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		Estrone5 / 11
LEU B 215
GLU B 211
LEU B 252
ARG B 199
GLY B 239
1.60A23.00
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.
5HW8_G_FK5G201_2
(FK506-BINDING
PROTEIN 1)		Tacrolimus5 / 11
PHE A 233
VAL A 304
ILE A 306
ILE A 296
PHE A 342
1.63A15.56
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.
4EJG_C_NCTC501_1
(CYTOCHROME P450 2A13)		Nicotine5 / 7
PHE A 303
PHE A 342
ALA A 232
LEU A 312
LEU A 332
1.71A24.69
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.
5CDP_H_EVPH2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B)		Etoposide4 / 6
SER A 155
GLY A 126
ASP A 125
ARG A 127
1.10A20.87
22.31
EDO  A 414 ( 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.
3FL9_E_TOPE200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		Trimethoprim5 / 10
GLU A 327
VAL A 321
ILE A 296
LEU A 298
PHE A 330
1.55A19.95
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.
5Q1S_A_AWYA1103_0
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		Agomelatine4 / 6
LYS A 317
VAL A 321
LYS A 320
ILE A 306
1.69A23.39
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.
5QH4_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
1.00A20.77
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.
6BZO_C_FI8C1201_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Fidaxomicin5 / 12
ILE A 116
THR B 121
VAL B  78
VAL B 142
SER B  98
1.54A16.29
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.
3RHW_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE B  97
THR A 106
SER A  98
ILE B 108
ILE A 108
1.44A21.87
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.
3SUE_C_SUEC1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir4 / 5
PHE B 303
TYR B 231
ILE B 212
LEU B 215
1.37A20.69
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.
2BM9_B_SAMB301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine5 / 12
LEU B 143
LEU B 152
GLY B 147
ARG B 127
ASN B 178
1.49A19.33
None
None
EDO  B 413 (-3.2A)
None
EDO  B 406 (-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.
1HK1_A_T44A3004_1
(SERUM ALBUMIN)		Levothyroxine4 / 6
PHE B 214
GLU B 234
LEU B 228
VAL B 304
1.40A20.50
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.
6CZM_F_HISF402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		L-Histidine5 / 10
LEU A 332
GLY A 337
LEU A 312
VAL A 314
CYH A 334
1.13A21.68
None
EDO  A 404 ( 3.3A)
None
EDO  A 404 (-4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VCT_A_ASDA1223_1
(GLUTATHIONE
S-TRANSFERASE A2)		4-Androstenedione4 / 8
TYR A 194
ILE A 323
LEU A 332
PHE A 330
1.30A21.98
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.
1MZ9_A_VDYA1002_2
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol3 / 3
ILE A 253
LEU A 252
VAL A 295
0.81A7.94
None
EDO  A 409 ( 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.
4QT3_A_RAPA202_1
(FK506-BINDING
PROTEIN (FKBP)-TYPE
PEPTIDYL-PROPYL
ISOMERASE)		Sirolimus5 / 10
TYR A 226
ASP A 213
GLU A 305
VAL A 304
PHE A 222
1.46A16.53
None
None
EDO  A 411 (-4.1A)
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.
4DQH_B_017B101_1
(WILD-TYPE HIV-1
PROTEASE DIMER)		Darunavir5 / 11
LEU B  58
ALA B  93
ASP B  92
PRO B  51
VAL B  54
1.40A12.84
None
None
EDO  B 401 ( 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.
6D8P_B_ACTB804_0
(UNCHARACTERIZED
PROTEIN)		Acetic acid4 / 4
HIS A  96
VAL A 142
LEU A  73
ALA A  81
1.57A19.30
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.
3IHZ_A_FK5A501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE)		Tacrolimus5 / 10
ASP B 297
ARG B 199
VAL B 304
ILE B 306
ILE B 323
1.23A15.38
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.
3VT7_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		Calcitriol4 / 4
LEU A 249
ILE A 307
TYR A 343
TYR A 238
1.78A20.38
None
None
CIT  A 412 (-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.
4FGL_A_CLQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Chloroquine5 / 12
GLY A 248
GLY A 247
PHE A 264
ILE A 281
PHE A 241
1.49A21.81
CIT  A 412 (-3.4A)
CIT  A 412 (-3.1A)
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.
2XPV_A_MIYA1209_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		Minocycline5 / 12
SER B 274
ASN B  75
PRO B 344
VAL B 276
ILE B 323
1.64A19.46
EDO  B 403 (-2.8A)
EDO  B 403 (-4.6A)
None
EDO  B 403 (-3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FN9_A_BEZA302_0
(14-3-3 PROTEIN
ZETA/DELTA)		Benzoic Acid3 / 3
MET A 210
GLN A 209
ARG A 225
1.62A23.66
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.
2XRL_A_DXTA1211_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		Doxycycline5 / 12
SER B 274
ASN B  75
PRO B 344
LEU B 298
ILE B 323
1.32A19.46
EDO  B 403 (-2.8A)
EDO  B 403 (-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.
4HAJ_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 7
ILE B  86
LEU B  73
LYS B 182
GLY B 141
1.26A11.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QT2_A_RAPA202_1
(FK506-BINDING
PROTEIN (FKBP)-TYPE
PEPTIDYL-PROPYL
ISOMERASE)		Sirolimus5 / 10
TYR B 226
ASP B 213
GLU B 305
VAL B 304
PHE B 222
1.48A16.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KRH_A_SAMA900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)		S-Adenosylmethionine5 / 12
ASP B 107
ALA B 109
ARG B 139
CYH B 117
ILE B 100
1.53A23.37
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.
4O1Z_A_MXMA807_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Meloxicam6 / 12
VAL A 295
ILE A 253
GLY A 254
ALA A 256
LEU A 201
LEU A 266
1.77A20.58
None
None
None
None
EDO  A 409 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L39_B_SALB601_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		Salicylic acid4 / 7
LEU A 190
TYR A 325
ILE A 144
GLY A 141
1.38A21.75
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.
2QK8_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
GLU A 327
VAL A 321
ILE A 296
LEU A 298
PHE A 330
1.56A19.95
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.
1GAH_A_ACRA497_2
(GLUCOAMYLASE-471)		Acarbose4 / 6
ALA B 256
SER B 274
ARG B 207
LEU B 215
1.70A22.02
None
EDO  B 403 (-2.8A)
EDO  B 407 ( 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.
3RI5_A_IVMA349_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 13
ILE A  97
THR B 106
SER B  98
ILE A 108
ILE B 108
1.46A21.87
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.
2YGQ_A_PCFA1275_0
(WNT INHIBITORY
FACTOR 1)		Colfosceril palmitate5 / 12
ILE A 296
LEU A 251
ILE A 323
ILE A 253
PHE A 204
1.40A20.73
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.
3LSL_A_PZIA802_0
(GLUTAMATE RECEPTOR 2)		Piracetam3 / 3
ASP B 324
ASN B  75
SER B 198
0.93A22.10
None
EDO  B 403 (-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.
1QKN_A_RALA600_1
(ESTROGEN RECEPTOR
BETA)		Raloxifene6 / 12
THR A 341
ALA A 232
GLU A 234
LEU A 228
ILE A 306
LEU A 332
1.48A21.15
CIT  A 412 (-3.0A)
None
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.
2OK6_D_BEZD2002_0
(AROMATIC AMINE
DEHYDROGENASE, LARGE
SUBUNIT
AROMATIC AMINE
DEHYDROGENASE, SMALL
SUBUNIT)		Benzoic Acid5 / 9
PHE B 264
LEU B 255
GLY B 239
LEU B 246
ASP B 283
1.75A23.04
17.21
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.
5HES_B_032B401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		Vemurafenib5 / 12
VAL A   6
ALA A  60
ALA A  55
CYH A 103
GLY A 101
1.41A22.22
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.
5M66_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 4
GLN A 160
THR A 167
GLU A 203
LEU A 252
1.73A21.96
EDO  A 413 (-3.8A)
None
None
EDO  A 409 ( 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.
5KVA_A_SAMA301_1
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
THR B 167
SER B 162
ASP B  88
1.30A24.00
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.
5QH2_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
1.00A20.77
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.
5NUK_A_Z80A201_1
(BETA-LACTOGLOBULIN)		Chlorpromazine5 / 10
ALA B  95
VAL B  70
ILE B 144
VAL B 142
PHE B 123
1.42A17.62
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.
3KO0_B_TFPB202_1
(PROTEIN S100-A4)		Trifluoperazine3 / 3
GLU B 265
LEU B 266
ASP B 268
1.24A13.21
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.
5U4S_A_BEZA301_0
(PUTATIVE SHORT CHAIN
DEHYDROGENASE)		Benzoic Acid4 / 7
ASN A 278
SER A 274
LEU A 346
PRO A 271
1.28A22.73
PEG  A 405 (-3.9A)
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.
1TCO_C_FK5C509_2
(FK506-BINDING
PROTEIN)		Tacrolimus5 / 11
ASP B 297
ARG B 199
VAL B 304
ILE B 306
ILE B 323
1.19A15.81
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.
5L2I_A_LQQA900_1
(CYCLIN-DEPENDENT
KINASE 6)		Palbociclib5 / 12
ILE A  86
VAL A  67
VAL A 142
THR A  99
ASP A 125
1.36A23.94
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.
4USW_A_ACTA1470_0
(ADENYLATE CYCLASE
TYPE 10)		Acetic acid4 / 6
LEU A  73
LEU A 143
VAL A 142
PHE A 177
1.67A23.59
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.
5DXG_B_ESTB601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU B 215
GLU B 211
LEU B 252
ARG B 199
GLY B 239
1.61A23.30
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.
3DCJ_B_THHB401_0
(PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN)		Levomefolic acid5 / 8
ILE B 281
LEU B 266
LEU B 255
ASN B 278
VAL B 295
1.64A19.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A5Y_D_9CRD501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE B 236
ALA B 232
PHE B 233
ILE B 306
LEU B 332
1.38A22.71
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.
4WOZ_F_MN9F401_0
(N-ACETYLNEURAMINATE
LYASE)		N-Acetyl-D-glucosamine4 / 5
ASP A 133
TYR A 180
LEU A 152
THR A 145
1.56A24.24
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.
1SH9_B_RITB301_1
(POL POLYPROTEIN)		Ritonavir5 / 8
ASP B 302
ASP B 297
ILE B 323
ILE B 296
ILE B 307
1.61A12.57
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.
1FDU_B_ESTB354_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		Estradiol4 / 8
SER B 162
VAL B  67
TYR B  89
VAL B 102
1.43A22.87
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.
2JC9_A_ADNA1497_1
(CYTOSOLIC PURINE
5'-NUCLEOTIDASE)		Adenosine4 / 7
ASP A 125
THR A  84
ILE A  64
ASN A 164
1.41A21.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HWC_A_FK5A201_1
(FK506-BINDING
PROTEIN 1A)		Tacrolimus5 / 11
ASP B 297
ARG B 199
VAL B 304
ILE B 306
ILE B 323
1.28A16.09
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.
4NKX_B_STRB601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Progesterone4 / 5
ILE B  64
LEU B 163
ASP B 125
VAL B  70
1.40A21.55
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.
3KZ7_A_RAPA225_1
(FK506-BINDING
PROTEIN 3)		Sirolimus5 / 10
ASP A 297
LEU A 300
VAL A 304
ILE A 306
ILE A 323
1.43A15.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N4I_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 5
TYR A 179
ALA A 161
GLN A 176
THR A 175
1.73A21.60
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.
3A2Q_A_ACAA601_1
(6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE)		Aminocaproic Acid5 / 7
ASN A  53
ALA A   7
ALA A  60
VAL A  25
ILE A  27
1.45A20.08
None
None
None
EDO  A 402 (-4.2A)
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.
5QHE_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
1.02A20.77
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.
3QIP_A_NVPA561_1
(REVERSE HIV-1
REVERSE
TRANSCRIPTASE P66)		Nevirapine5 / 10
LEU A 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.54A21.31
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.
2VN0_A_TDZA501_1
(CYTOCHROME P450 2C8)		Troglitazone5 / 12
ILE B  86
ASN B  63
ASN B  83
VAL B  67
ILE B 100
1.53A24.24
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.
3UJ7_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU B 249
ILE B 296
ILE B 281
CYH B 293
ASP B 297
1.34A22.63
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.
2QEI_A_CXXA801_1
(TRANSPORTER)		Clomipramine5 / 11
LEU A 266
LEU A 255
ILE A 281
LEU A 246
ASP A 283
1.50A21.87
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.
1XZ1_A_HLTA2001_1
(FERRITIN LIGHT CHAIN)		Halothane4 / 4
LEU B 190
SER B 155
TYR B 179
LEU B  76
1.67A19.78
None
EDO  B 410 (-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.
6JNH_A_ASCA202_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		Vitamin C3 / 3
ASN A 178
PRO A 154
GLN A 153
1.72A19.09
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.
4Z53_F_TR6F101_1
(DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A
E-SITE DNA)		Trovafloxacin4 / 6
GLY A 247
ASP A 240
SER A 262
ARG A 258
1.40A18.27
CIT  A 412 (-3.1A)
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.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 11
PHE B 233
ILE B 236
LEU B 346
LEU B 249
GLY B 247
1.61A22.08
None
None
None
None
CIT  B 408 (-3.1A)
Potential target for repurposing, i.e. matched protein structure has less than 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  58
ALA B  93
ASP B  92
PRO B  51
VAL B  54
1.44A13.11
None
None
EDO  B 401 ( 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.
3GSS_A_EAAA212_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		Etacrynic acid5 / 7
PHE B 123
VAL B  78
ILE B 100
THR B 113
GLY B 141
1.51A21.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AOX_C_ACTC1001_0
(ALU JO CONSENSUS RNA
SIGNAL RECOGNITION
PARTICLE 14 KDA
PROTEIN)		Acetic acid3 / 3
TYR A 194
THR A 196
THR A 193
1.23A14.01
None
None
EDO  A 414 (-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.
2BR4_C_SAMC301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine5 / 12
GLY A 239
TYR A 238
CYH A 293
SER A 294
ASP A 240
1.38A19.33
None
None
PEG  A 405 (-4.9A)
PEG  A 405 (-3.0A)
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.
5LG3_E_Z80E401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		Chlorpromazine5 / 12
ILE B 236
ILE B 307
VAL B 237
GLU B 211
ASP B 302
1.29A20.44
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.
3O02_B_JN3B1_1
(CELL INVASION
PROTEIN SIPD)		Ursodeoxycholic acid5 / 10
ILE B  97
ASN B  83
LEU B  50
LEU B  58
VAL B 102
1.39A23.11
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.
2V57_A_PRLA1188_0
(TETR FAMILY
TRANSCRIPTIONAL
REPRESSOR LFRR)		Proflavine4 / 8
ILE A 212
TYR A 238
ASP A 213
ARG A 225
1.64A19.59
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.
4Q1Y_A_017A106_2
(ASPARTYL PROTEASE)		Darunavir5 / 12
LEU B  58
ALA B  93
ASP B  92
PRO B  51
VAL B  54
1.19A13.39
None
None
EDO  B 401 ( 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.
2EJG_A_ADNA1501_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		Adenosine4 / 7
ARG A 139
ASN B 140
PRO B 119
ALA B 118
1.70A21.98
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.
2YLG_A_ASCA130_0
(CYTOCHROME C')		Vitamin C4 / 5
ALA A 232
GLY A 337
CYH A 334
LYS A 335
1.33A15.09
None
EDO  A 404 ( 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.
4M11_C_MXMC606_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Meloxicam3 / 3
LEU B 201
ARG B 199
MET B 210
1.77A21.90
None
Potential target for repurposing, i.e. matched protein structure has less than 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
SER A 155
VAL A 156
GLY A 157
TYR A 325
LEU A 299
0.99A22.87
EDO  A 414 ( 4.0A)
EDO  A 414 (-4.2A)
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.
5FA8_A_SAMA301_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine5 / 12
GLY A  14
ILE A  64
ASN A  12
ASN A   5
PHE A  16
1.49A17.62
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.
3TPX_E_ACTE204_0
(E3 UBIQUITIN-PROTEIN
LIGASE MDM2)		Acetic acid3 / 3
LYS B 111
PRO B 112
LEU B 134
1.64A13.18
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.
1ONI_H_BEZH515_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		Benzoic Acid4 / 6
PHE B 177
ALA B 161
ILE B  86
PRO B  68
1.24A16.29
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.
6FNB_A_BEZA301_0
(14-3-3 PROTEIN
ZETA/DELTA)		Benzoic Acid3 / 3
MET A 210
GLN A 209
ARG A 225
1.61A23.66
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.
4F8H_A_RKEA401_1
(PROTON-GATED ION
CHANNEL)		Ketamine4 / 8
ASP B 301
VAL B 237
PHE B 222
LEU B 228
1.32A20.05
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.
3IA4_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA A 232
GLN A 310
SER A 294
ILE A 296
LEU A 298
1.59A16.94
None
None
PEG  A 405 (-3.0A)
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.
2BM9_D_SAMD301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine3 / 3
ASP A 268
ASP A 273
ASN A 278
1.48A19.33
None
None
PEG  A 405 (-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.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		Prochlorperazine4 / 8
ASP B 301
SER B 208
PHE B 233
LEU B 252
1.43A13.79
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.
6A60_D_9CRD501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE B 236
ALA B 232
PHE B 233
ILE B 306
LEU B 332
1.43A22.71
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.
4MWZ_A_SAMA301_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine3 / 3
SER B 208
ASP B 297
ASP B 324
1.32A22.87
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.
1S1X_A_NVPA999_1
(REVERSE
TRANSCRIPTASE)		Nevirapine5 / 8
LEU A 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.52A21.38
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.
1FDU_D_ESTD352_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		Estradiol4 / 6
SER A 155
VAL A 156
GLY A 157
TYR A 325
1.03A22.87
EDO  A 414 ( 4.0A)
EDO  A 414 (-4.2A)
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.
1XZ3_A_ICFA201_1
(FERRITIN LIGHT CHAIN)		Isoflurane4 / 4
LEU B 190
SER B 155
TYR B 179
LEU B  76
1.69A19.78
None
EDO  B 410 (-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.
4KTT_A_SAMA405_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 8
ALA B 109
ASP B  79
ILE B  80
ILE B  97
1.32A22.79
None
EDO  B 404 (-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.
4RZ7_A_1E8A901_1
(CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE)		Ibrutinib5 / 10
THR B 193
ILE B 323
PHE B 195
THR B 196
VAL B 276
1.37A19.83
EDO  B 410 (-4.7A)
None
EDO  B 410 (-4.8A)
None
EDO  B 403 (-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.
5OY0_1_PQN1842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 10
PHE B 124
ARG B 139
ALA B 118
GLY B 141
LEU B  50
1.57A19.02
8.15
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.
2BXK_A_IMNA2001_1
(SERUM ALBUMIN)		Indomethacin4 / 8
PHE A  56
ALA A   7
LEU A  43
ASP A  17
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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)		Clopidogrel5 / 10
VAL B  10
ALA B  55
ILE B  27
VAL B  32
VAL B  25
1.39A21.16
None
None
None
None
EDO  B 402 (-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.
5FHZ_D_READ602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		Tretinoin5 / 12
ILE A 296
ARG A 199
ASN A 278
CYH A 293
LEU A 255
1.68A22.41
None
None
PEG  A 405 (-3.9A)
PEG  A 405 (-4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMF_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 4
ARG B 199
GLN B 160
PHE B 195
LEU B 299
1.62A23.35
None
EDO  B 407 (-3.5A)
EDO  B 410 (-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.
3RUK_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Abiraterone5 / 12
ILE A  72
LEU A  76
THR A 145
VAL A 132
VAL A 142
1.04A20.83
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.
2X91_A_LPRA1615_2
(ANGIOTENSIN
CONVERTING ENZYME)		Lisinopril3 / 3
SER B 244
THR B 282
PHE B 269
1.09A18.97
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.
4ZE0_A_VORA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Voriconazole5 / 9
TYR B 343
THR B 341
ILE B 236
GLY B 247
LEU B 346
1.49A20.38
CIT  B 408 (-3.4A)
CIT  B 408 (-3.0A)
None
CIT  B 408 (-3.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 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_A_1N1A501_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Dasatinib5 / 12
GLU B 171
VAL B 173
ILE B 169
THR B 175
ALA B 172
1.35A22.37
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.
4KQ8_A_ASDA602_1
(CYTOCHROME P450 19A1)		4-Androstenedione5 / 10
ILE A  80
ALA A  81
THR A  84
VAL A 128
LEU A 134
1.79A21.88
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.
4A97_A_ZPCA1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Eszopiclone4 / 7
PHE A 233
TYR A 231
VAL A 304
GLU A 234
1.48A20.44
None
EDO  A 408 (-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.
2BJF_A_DXCA330_0
(CHOLOYLGLYCINE
HYDROLASE)		Deoxycholic Acid5 / 12
PHE A 195
PHE A 177
ASN A  75
ILE A 144
LEU A  76
1.61A25.18
EDO  A 414 (-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.
4MA8_C_Z80C301_1
(MAJOR PRION PROTEIN)		Chlorpromazine4 / 5
LEU B 312
GLY B 337
ILE B 307
GLN B 310
1.64A13.77
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.
3DXY_A_SAMA1_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine5 / 11
GLY A 254
GLY A 239
ILE A 253
HIS A 250
ASP A 297
1.40A19.41
None
None
None
CIT  A 412 ( 3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FWD_A_BO2A801_1
(TTC1975 PEPTIDASE)		Bortezomib5 / 9
VAL A 142
VAL A  70
ILE A  72
GLY A 157
SER A 155
1.69A20.00
None
None
None
None
EDO  A 414 ( 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.
4AWU_A_4CHA503_0
(OXIDOREDUCTASE,
FMN-BINDING)		Parachlorophenol4 / 6
SER B 294
TYR B 343
PHE B 330
PHE B 342
1.59A19.36
None
CIT  B 408 (-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.
2V0M_A_KLNA1501_1
(CYTOCHROME P450 3A4)		Ketoconazole5 / 10
ASP B 273
SER B  98
ILE B  97
ILE B 108
GLY B  77
1.51A21.78
None
None
None
None
PEG  B 411 ( 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.
5X80_C_SALC201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		Salicylic acid4 / 7
VAL B 292
VAL B 276
PRO B 344
TYR B 343
1.37A19.63
None
EDO  B 403 (-3.9A)
None
CIT  B 408 (-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.
1LXF_C_BEPC92_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Bepridil5 / 12
ILE A 323
LEU A 298
ILE A 306
GLU A 305
VAL A 321
1.29A14.36
None
None
None
EDO  A 411 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Z0A_A_GLYA73_0
(NONSTRUCTURAL
PROTEIN 1)		Glycine4 / 5
ALA A 161
GLN A 160
ILE A 169
ARG A 207
1.65A14.01
None
EDO  A 413 (-3.8A)
EDO  A 403 (-4.5A)
EDO  A 413 ( 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.
1Q6I_B_FK5B401_1
(FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA)		Tacrolimus5 / 10
ASP B 297
ARG B 199
VAL B 304
ILE B 306
ILE B 323
1.43A21.31
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.
3ZOS_B_0LIB1000_2
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Ponatinib5 / 9
LEU B 190
ILE B 306
LEU B 298
ILE B 296
ILE B 328
1.64A23.27
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.
3UJ6_A_SAMA300_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU B 249
ILE B 296
ILE B 281
CYH B 293
ASP B 297
1.34A22.63
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.
5ERG_B_SAMB401_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61)		S-Adenosylmethionine5 / 12
ILE B 323
HIS B 250
VAL B 339
CYH B 334
LEU B 332
1.35A22.91
None
CIT  B 408 (-3.9A)
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.
2DRD_A_MIYA2001_1
(ACRB)		Minocycline5 / 9
GLN B 131
GLU B 114
ILE B  80
VAL B  78
PHE B 123
1.67A16.18
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.
5NOO_D_D16D402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
ARG B 139
ILE B  80
GLY B  77
TYR B 179
1.21A
None
None
PEG  B 411 ( 3.5A)
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.
4DRH_D_RAPD201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		Sirolimus5 / 12
TYR A 226
ASP A 213
VAL A 304
PRO A 206
PHE A 222
1.38A17.79
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.
1FK9_A_EFZA999_1
(HIV-1 RT, A-CHAIN)		Efavirenz5 / 10
LEU A 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.54A21.58
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.
1RMT_A_ADNA1501_1
(CLASS B ACID
PHOSPHATASE)		Adenosine5 / 10
LEU A 190
THR A 121
GLY A  77
THR A 145
TYR A 179
1.80A20.73
None
None
PEG  A 406 ( 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.
2D55_C_DVAC2_0
(ACTINOMYCIN D)		L-Valine3 / 3
THR B 175
PRO B  68
PRO B  66
1.09A11.36
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.
5M36_A_BEZA303_0
(14-3-3 PROTEIN
ZETA/DELTA)		Benzoic Acid3 / 3
MET A 210
GLN A 209
ARG A 225
1.59A24.10
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.
5MVM_E_PFLE409_1
(PROTON-GATED ION
CHANNEL)		Propofol5 / 10
ILE B 116
PRO A 119
ALA B 118
LEU B 120
ILE A 108
1.28A21.09
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.
3ADS_A_IMNA2_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin4 / 6
ILE B 296
ILE B 281
LEU B 298
PHE B 303
1.34A23.75
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.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		Methotrexate5 / 12
GLU A 114
ILE A 116
GLY A 101
ILE A  80
ALA A  81
1.37A22.00
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.
5M35_B_BEZB302_0
(14-3-3 PROTEIN
ZETA/DELTA)		Benzoic Acid3 / 3
MET A 210
GLN A 209
ARG A 225
1.58A24.10
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.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)		Estriol5 / 12
LEU A 251
GLU A 211
LEU A 299
ARG A 199
ILE A 323
1.45A23.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S68_A_SAMA228_1
(CATECHOL
O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ASN B   9
VAL B  10
ASN B  63
ALA B  95
PHE B  56
1.73A20.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2M2P_B_DHIB24_0
(INSULIN B CHAIN)		L-Histidine3 / 3
TYR B 238
GLY B 239
PHE B 233
1.42A5.98
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.
2DG9_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		Sirolimus5 / 11
TYR B  89
GLU B  69
VAL B  70
ILE B  86
ILE B  64
1.69A15.48
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.
5KQX_A_ROCA101_2
(PROTEASE E35D-SQV)		Saquinavir5 / 9
ARG A  62
ASN A  63
ILE A  80
PRO A  94
ILE A  86
1.77A12.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QH3_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
1.00A20.77
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.
4KFB_A_T27A607_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H,
EXORIBONUCLEA P66 RT)		Rilpivirine5 / 12
LEU B 190
VAL B 142
TYR B 180
PRO B 158
TYR B 325
1.58A21.57
None
None
None
EDO  B 407 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 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  58
ALA B  93
ASP B  92
PRO B  51
VAL B  54
1.22A14.63
None
None
EDO  B 401 ( 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.
2XZ5_B_ACHB1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Acetylcholine4 / 7
TYR A 343
VAL A 319
CYH A 334
ILE A 307
1.47A20.89
CIT  A 412 (-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.
5QH0_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
1.00A20.77
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.
5ITZ_B_LOCB502_1
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 12
LEU A 251
THR A 326
ILE A 306
LYS A 320
ILE A 323
1.41A20.83
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.
2AVS_B_MK1B902_2
(POL POLYPROTEIN)		Indinavir3 / 3
ASP A  88
PRO A  51
VAL A  54
1.18A14.21
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.
2A8T_B_ADNB252_1
(U8 SNORNA-BINDING
PROTEIN X29)		Adenosine4 / 8
GLY B 126
THR B  84
ILE B 144
ASN B  63
1.36A20.00
EDO  B 413 ( 4.8A)
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.
5H2U_A_1N1A501_2
(PROTEIN-TYROSINE
KINASE 6)		Dasatinib3 / 3
ILE B 296
MET B 272
ASP B 324
0.51A20.77
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.
3SUD_C_SUEC1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir4 / 4
PHE B 342
TYR B 194
LEU B 346
LYS B 345
1.68A20.05
None
EDO  B 412 ( 4.7A)
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.
4O4D_A_ACTA406_0
(INOSITOL
HEXAKISPHOSPHATE
KINASE)		Acetic acid4 / 7
ASP A 283
THR A 286
PHE A 264
SER A 262
1.69A22.13
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.
6DGX_A_017A101_1
(PROTEASE)		Darunavir5 / 12
LEU B  58
ALA B  93
ASP B  92
PRO B  51
VAL B  54
1.22A14.21
None
None
EDO  B 401 ( 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.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		Rosiglitazone5 / 12
PRO A 344
LEU A 251
ILE A 306
ILE A 296
PHE A 195
1.48A19.58
None
None
None
None
EDO  A 414 (-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.
6MKE_C_FK5C201_1
(PEPTIDYLPROLYL
ISOMERASE)		Tacrolimus5 / 10
ASP B 297
ARG B 199
VAL B 304
ILE B 306
ILE B 323
1.19A16.16
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.
5QGL_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
1.03A20.77
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.
5JKW_A_TESA601_1
(AROMATASE)		Testosterone5 / 11
ILE A 328
PHE A 330
ASP A 324
VAL A 295
LEU A 298
1.60A21.28
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.
5G6S_A_RAUA400_1
(IMINE REDUCTASE)		Rasagiline5 / 11
VAL A 304
TYR A 238
PHE A 222
MET A 210
GLY A 239
1.66A22.52
None
Potential target for repurposing, i.e. matched protein structure has less than 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 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.53A21.31
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.
6BSJ_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT)		Efavirenz5 / 10
LEU A 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.49A21.08
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.
4OGR_A_ADNA401_1
(CYCLIN-DEPENDENT
KINASE 9)		Adenosine5 / 8
ILE A  80
GLY A 141
VAL A 122
ALA A  81
LEU A  73
1.66A22.51
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.
6GNE_B_ACRB602_2
(-)		Acarbose4 / 8
VAL B 102
TRP B  87
HIS B  15
ASN B  63
1.72A20.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NNR_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP2)		Tacrolimus5 / 10
PHE A 233
VAL A 304
ILE A 306
ILE A 296
PHE A 342
1.67A18.26
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.
3SUD_D_SUED1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir4 / 5
PHE B 342
TYR B 194
LEU B 346
LYS B 345
1.72A20.05
None
EDO  B 412 ( 4.7A)
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.
2AKE_A_TRPA479_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		L-Tryptophan5 / 12
THR B 145
GLY B 126
GLY B 130
ILE B 144
PHE B 123
1.26A20.05
EDO  B 413 (-3.8A)
EDO  B 413 ( 4.8A)
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.
4ZXI_A_GLYA1402_0
(TYROCIDINE
SYNTHETASE 3)		Glycine4 / 7
ASP A 324
ILE A  72
GLY A 157
THR A 196
1.55A15.02
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.
5I1N_F_DVAF9_0
(D-VILLIN HEADPIECE
SUBDOMAIN
VILLIN-1)		L-Valine3 / 3
ALA B 118
ASN B 140
LEU B 120
1.02A5.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W68_A_VIVA301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E5 / 12
VAL B 156
LEU B 190
ILE B 144
VAL B 142
LEU B 143
1.26A22.59
EDO  B 406 ( 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.
5VLM_B_CVIB301_0
(REGULATORY PROTEIN
TETR)		Gentian Violet5 / 12
GLN A 131
ALA A  82
LEU A 143
VAL A  78
TYR A 325
1.48A20.30
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.
3ILU_B_HFZB800_1
(GLUTAMATE RECEPTOR 2)		Hydroflumethiazide5 / 10
LYS A 159
PRO A 158
SER A 198
ILE A 169
SER A 162
1.80A22.10
EDO  A 413 (-4.5A)
EDO  A 413 (-4.6A)
None
EDO  A 403 (-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.
5QGN_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
1.04A20.77
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.
5N0W_B_SAMB501_1
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 5
TYR A 179
ALA A 161
GLN A 176
THR A 175
1.74A21.60
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.
3DDY_A_RBFA187_1
(LUMAZINE PROTEIN)		Riboflavin5 / 12
SER A 162
THR A 175
ILE A 144
THR A  84
ILE A  86
1.47A21.31
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.
5SYF_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL A  78
LEU A  58
HIS A  96
ALA A  81
PRO A  68
1.52A23.40
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.
5UXD_A_ZITA501_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E MPHH)		Azithromycin4 / 7
GLU A 261
ALA A 256
GLY A 254
TYR A 238
1.24A20.63
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.
3AIA_A_SAMA206_0
(UPF0217 PROTEIN
MJ1640)		S-Adenosylmethionine4 / 6
LEU B 215
MET B 210
GLY B 254
SER B 208
1.44A20.22
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.
5QGZ_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
0.99A20.77
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.
3M8P_A_65BA562_0
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H
P51 RT)		Etravirine5 / 11
LEU A 190
VAL A 183
VAL A 187
TYR A 180
LEU A  76
1.72A21.44
22.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXZ_A_0LIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		Ponatinib5 / 9
LEU B  76
TYR B 325
LYS B  71
VAL B 295
VAL B 321
1.64A22.82
None
None
None
None
EDO  B 412 (-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.
3A50_B_VD3B2001_1
(VITAMIN D
HYDROXYLASE)		Cholecalciferol5 / 11
THR B 322
ILE B 296
LEU B 298
ILE B 306
PRO B 344
1.69A22.85
EDO  B 412 (-3.9A)
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.
4QVM_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 9
THR A 113
ALA A  82
ALA A  81
GLY A 130
ASP A 125
1.62A20.16
20.73
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.
5VOO_E_C2FE3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		Levomefolic acid5 / 12
ARG B 258
GLY B 239
LEU B 346
SER B 288
ILE B 281
1.55A23.16
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.
3PWW_A_ROCA1001_1
(ENDOTHIAPEPSIN)		Saquinavir5 / 12
ILE A 212
ASP A 213
LEU A 299
PHE A 342
ILE A 236
1.51A21.65
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.
1SQF_A_SAMA430_0
(SUN PROTEIN)		S-Adenosylmethionine5 / 12
GLY B 151
ILE B 144
ASP B 125
GLY B 126
ARG B 127
1.39A22.55
EDO  B 409 (-3.7A)
None
None
EDO  B 413 ( 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.
2FT9_A_CHDA131_0
(FATTY ACID-BINDING
PROTEIN 2, LIVER)		Cholic Acid5 / 11
LEU A 298
ILE A  72
PRO A  68
GLN A 160
LEU A 346
1.61A16.62
None
None
None
EDO  A 413 (-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.
3JW2_A_017A401_2
(GAG-POL POLYPROTEIN)		Darunavir6 / 12
ALA A  81
ASP A 125
VAL A  67
ILE A 144
VAL A  70
ILE A  86
1.74A14.48
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.
5VKQ_A_PCFA1808_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate4 / 5
LYS A 257
ALA A 256
LEU A 201
LEU A 215
1.18A11.81
None
None
EDO  A 409 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 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_B_29SB601_2
(ESTROGEN RECEPTOR)		Bazedoxifene4 / 5
LEU A 249
GLU A 261
MET A 219
HIS A 235
1.58A21.29
None
None
None
CIT  A 412 (-4.2A)
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.
3SUD_A_SUEA1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir4 / 4
PHE B 303
TYR B 231
ILE B 212
LEU B 215
1.40A20.05
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.
5FPD_A_PZAA1385_0
(HEAT SHOCK-RELATED
70KDA PROTEIN 2)		Pyrazinamide5 / 7
ASN A   5
VAL A   6
ALA A  60
GLY A  14
VAL A  10
1.69A24.32
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.
3BOG_C_DHIC8_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		L-Histidine3 / 3
SER A 288
GLY A 247
GLY A 239
0.93A11.32
None
CIT  A 412 (-3.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_B_ACRB1421_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		Acarbose4 / 6
MET B 219
GLU B 261
GLY B 239
GLY B 248
1.54A15.45
None
None
None
CIT  B 408 (-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.
1LWE_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		Nevirapine5 / 7
LEU A 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.58A21.78
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.
1ERR_B_RALB600_1
(ESTROGEN RECEPTOR)		Raloxifene6 / 12
THR A 282
GLU A 267
LEU A 266
LEU A 246
LEU A 255
LEU A 201
1.75A21.43
None
None
None
None
None
EDO  A 409 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FPJ_A_SAMA301_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine5 / 12
PHE A 124
GLY A 141
VAL A 142
ALA A 138
VAL A 187
1.32A19.79
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.
5HW8_H_FK5H201_1
(FK506-BINDING
PROTEIN 1)		Tacrolimus4 / 8
TYR B 226
ASP B 213
ILE B 253
PHE B 222
1.27A15.56
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.
1LQT_B_ACTB1868_0
(FPRA)		Acetic acid3 / 3
ALA B  81
HIS B  96
VAL B  85
1.25A22.36
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.
3RI5_A_IVMA349_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 13
ILE B  97
THR A 106
SER A  98
ILE B 108
ILE A 108
1.47A21.87
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.
5Y1Y_A_HNQA201_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		Nitroxoline4 / 8
LEU B 201
CYH B 293
TYR B 279
ILE B 281
1.19A16.62
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.
5TDZ_A_ADNA905_1
(ATP-CITRATE SYNTHASE)		Adenosine4 / 6
THR B 196
ASP B 297
LEU B 298
ASP B 302
1.70A21.23
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.
5QHH_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
1.00A20.77
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.
1URM_A_BEZA201_0
(PEROXIREDOXIN 5)		Benzoic Acid5 / 9
PRO A  66
PRO A  68
LEU A 168
ARG A 127
THR A 175
1.79A20.63
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.
3SUG_A_SUEA1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir4 / 5
GLN A 310
PHE A 342
TYR A 194
LYS A 317
1.57A20.32
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.
1WRL_B_TFPB203_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Trifluoperazine6 / 6
PHE B 233
VAL B 237
LEU B 251
PHE B 222
MET B 210
SER B 208
1.28A14.68
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.
4DRJ_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4)		Sirolimus5 / 11
TYR A 226
ASP A 213
GLU A 305
VAL A 304
PHE A 222
1.40A16.85
None
None
EDO  A 411 (-4.1A)
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.
2RLF_A_RIMA199_1
(MATRIX PROTEIN 2)		Rimantadine4 / 6
LEU A 298
LEU A 299
ASP A 302
ILE A 323
1.38A10.68
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.
5UUN_B_ACTB307_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid3 / 3
LEU A 255
ALA A 256
LEU A 266
0.64A22.22
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.
5F9Z_B_HFGB703_0
(AMINOACYL-TRNA
SYNTHETASE)		Halofuginone5 / 12
LEU B 255
SER B 294
VAL B 295
GLU B 211
PHE B 233
1.65A23.75
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.
5IWU_A_ERYA404_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		Erythromycin5 / 12
ILE B  80
THR B  49
ALA B 109
SER A  98
ILE A 108
1.50A20.05
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.
4XUM_B_IMNB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin5 / 11
GLY B 248
ILE B 253
LEU B 252
LEU B 201
ILE B 281
1.50A23.04
CIT  B 408 (-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.
3UT5_D_LOCD502_1
(TUBULIN BETA CHAIN)		Colchicine5 / 12
ALA B 138
ALA B 109
LYS B 111
ALA B  82
ILE B 108
1.29A20.54
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.
3AG4_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 7
ILE A  86
LEU A  73
PHE A 123
THR A 175
1.30A21.40
9.54
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.
3K4V_B_ROCB201_3
(HIV-1 PROTEASE)		Saquinavir6 / 12
ALA A  81
ASP A 125
VAL A  67
ILE A 144
VAL A  70
ILE A  86
1.69A14.21
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.
4Y0Q_A_PX9A201_1
(BETA-LACTOGLOBULIN)		Pramocaine3 / 3
LYS B 308
ILE B 307
ILE B 236
0.78A17.20
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.
3H6T_A_CYZA265_1
(GLUTAMATE RECEPTOR 2)		Cyclothiazide5 / 11
LYS A 159
PRO A 158
SER A 198
ILE A 169
SER A 162
1.71A22.40
EDO  A 413 (-4.5A)
EDO  A 413 (-4.6A)
None
EDO  A 403 (-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.
4FGZ_A_CQAA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		Amodiaquine4 / 8
GLY A 239
GLY A 254
LEU A 252
VAL A 295
1.20A22.63
None
None
EDO  A 409 ( 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.
4DZ3_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		Tacrolimus5 / 10
ASP B 297
ARG B 199
VAL B 304
ILE B 306
ILE B 323
1.06A16.46
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.
2AOF_C_FRDC305_3
(PEPTIDE INHIBITOR)		Amphetamine4 / 5
ASN A  75
GLN A 160
SER A 198
ARG A 199
1.28A3.46
None
EDO  A 413 (-3.8A)
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.
3ARR_A_PNXA606_1
(CHITINASE A)		Pentoxifylline4 / 7
GLY B 165
ASP B  88
TYR B  89
ARG B  91
1.54A22.62
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.
1IHI_A_IU5A326_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		Ursodeoxycholic acid5 / 10
TYR A 194
VAL A 321
VAL A 319
GLU A 305
LEU A 251
1.80A23.54
None
None
None
EDO  A 411 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DMA_B_NCAB700_0
(EXOTOXIN A)		Nicotinamide4 / 6
HIS A 250
GLY A 248
ALA A 232
GLU A 340
1.21A18.98
CIT  A 412 ( 3.9A)
CIT  A 412 (-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.
5G5G_B_ACTB1321_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT)		Acetic acid3 / 3
THR A  48
ASP A  92
ALA A  93
1.43A23.92
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.
5ZVG_A_SAMA401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		S-Adenosylmethionine5 / 12
ALA B  95
GLY B  77
ASP B  92
ALA B  93
TYR B  89
1.67A20.87
None
PEG  B 411 ( 3.5A)
EDO  B 401 ( 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.
3EM0_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid5 / 12
ILE B 108
ILE B  80
VAL B  78
GLY B 141
LEU B 134
1.35A16.49
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.
2EJF_B_ADNB2002_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		Adenosine4 / 6
ARG A 139
ASN B 140
PRO B 119
ALA B 118
1.62A22.25
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.
1UWH_A_BAXA1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib4 / 6
ILE A  72
ILE A 100
ILE A 108
ASP A  79
1.07A20.26
None
None
None
EDO  A 407 (-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.
5G48_B_1FLB1375_1
(DNA POLYMERASE III
SUBUNIT BETA)		Diflunisal5 / 9
LEU B  58
THR B 106
THR B  99
PRO B  94
ILE B  97
1.53A21.70
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.
3OY4_B_017B200_1
(HIV-1 PROTEASE)		Darunavir5 / 11
LEU B  58
ALA B  93
ASP B  92
PRO B  51
VAL B  54
1.36A13.93
None
None
EDO  B 401 ( 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.
4XO7_B_ASDB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		4-Androstenedione4 / 7
TYR B 194
VAL B 321
ILE B 307
LEU B 299
1.64A23.54
EDO  B 412 ( 4.7A)
EDO  B 412 (-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.
3ABM_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 5
PHE B 233
PHE B 214
LEU B 215
PHE B 204
1.57A23.35
9.54
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.
5JMN_A_FUAA1101_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		Fusidic Acid4 / 5
ILE B 253
ILE B 296
HIS B 250
VAL B 295
1.48A16.30
None
None
CIT  B 408 (-3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V5Z_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole3 / 3
GLY B 130
THR B 115
PRO B 112
0.81A21.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CPP_A_CAMA422_0
(CYTOCHROME P450-CAM)		Camphor5 / 9
THR A  48
THR A 106
VAL A  54
VAL A  85
VAL A 102
1.60A22.94
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.
5QHC_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
1.02A20.77
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.
1WRK_B_TFPB203_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Trifluoperazine5 / 5
PHE B 233
LEU B 251
PHE B 222
MET B 210
SER B 208
1.78A14.68
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.
4ZME_A_ADNA1002_1
(MYOSIN HEAVY CHAIN
KINASE A)		Adenosine5 / 11
PHE B 233
GLY B 230
VAL B 304
LYS B 308
LEU B 300
1.41A24.81
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.
5MUE_A_VIVA302_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E5 / 12
VAL A 321
PHE A 342
ILE A 296
LEU A 251
ILE A 236
1.34A20.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MDQ_A_TESA605_0
(SERUM ALBUMIN)		Testosterone4 / 8
HIS B 235
GLY B 239
LEU B 251
GLY B 254
0.99A21.42
CIT  B 408 (-4.2A)
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.
5E72_A_SAMA400_0
(N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ILE A  86
GLY A 165
ASP A  88
PRO A  94
LEU A  50
1.32A21.77
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.
2FB2_B_SAMB501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		S-Adenosylmethionine4 / 7
THR B 322
GLU B 192
THR B 193
SER B 155
1.50A20.60
EDO  B 412 (-3.9A)
EDO  B 410 ( 3.6A)
EDO  B 410 (-4.7A)
EDO  B 410 (-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.
3MTE_B_SAMB220_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
ASN B  63
ALA B 109
GLU B 114
PHE B 123
THR B 113
1.35A20.70
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.
1HK3_A_T44A3004_1
(SERUM ALBUMIN)		Levothyroxine4 / 7
PHE A 204
LEU A 300
VAL A 237
LEU A 255
1.22A20.50
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.
2J7X_A_ESTA1454_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
LEU B 215
GLU B 211
LEU B 252
ARG B 199
GLY B 239
1.55A21.15
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.
4Y8W_C_STRC603_1
(CYTOCHROME P450
21-HYDROXYLASE)		Progesterone5 / 12
LEU A 251
VAL A 321
ILE A 323
ILE A 306
VAL A 339
1.09A20.16
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.
1K6C_B_MK1B902_1
(POL POLYPROTEIN)		Indinavir5 / 10
LEU A 332
ALA A 232
GLY A 239
GLY A 248
PRO A 344
1.60A14.48
None
None
None
CIT  A 412 (-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.
3UQA_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		Tacrolimus5 / 10
ASP B 297
ARG B 199
VAL B 304
ILE B 306
ILE B 323
1.16A23.87
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.
3OXC_A_ROCA401_1
(PROTEASE)		Saquinavir6 / 12
ALA A  81
ASP A 125
VAL A  67
ILE A 144
VAL A  70
ILE A  86
1.70A14.21
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.
1IWJ_A_CAMA418_0
(CYTOCHROME P450-CAM)		Camphor5 / 9
THR A  48
THR A 106
VAL A  54
VAL A  85
VAL A 102
1.61A23.38
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.
4EAT_B_BEZB1000_0
(BENZOATE-COENZYME A
LIGASE)		Benzoic Acid5 / 9
ALA B 232
GLY B 230
ILE B 307
HIS B 235
ILE B 236
1.74A21.28
None
None
None
CIT  B 408 (-4.2A)
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.
5E5J_A_017A201_3
(PROTEASE)		Darunavir3 / 3
ASP B 133
VAL B 149
LEU B 143
0.78A13.93
None
EDO  B 413 (-4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 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 B 292
SER B 294
LEU B 346
0.98A20.63
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.
4NQA_H_9CRH501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE B 236
ALA B 232
PHE B 233
ILE B 306
LEU B 332
1.32A21.16
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.
1UPF_B_URFB999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)		Fluorouracil4 / 7
ALA B  81
ILE B  80
ILE B 108
ASP B 107
1.16A21.79
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.
3T3R_A_9PLA501_1
(CYTOCHROME P450 2A6)		Pilocarpine5 / 11
PHE A   8
ASN A  12
GLY A  14
LEU A  43
PHE A  56
1.38A23.30
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.
1MRJ_A_ADNA300_1
(ALPHA-TRICHOSANTHIN)		Adenosine4 / 8
ILE A 307
TYR A 194
ILE A 306
GLU A 305
1.14A21.64
None
None
None
EDO  A 411 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BPX_A_SALA257_1
(TRANSCRIPTIONAL
REGULATOR)		Salicylic acid4 / 8
ALA A 109
CYH A 117
THR A  99
ILE A  80
1.16A17.69
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.
4R21_A_STRA601_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		Progesterone4 / 6
ILE B 144
GLY B 157
SER B 198
ILE B 169
1.16A20.12
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.
4V2G_B_CTCB222_0
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		Chlortetracycline5 / 12
SER A 274
ASN A  75
PRO A 344
VAL A 276
ILE A 323
1.78A19.46
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.
4KJK_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
PHE A 330
THR A 275
ILE A 323
LEU A 298
ILE A 296
1.57A17.34
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.
3PRS_A_RITA1001_2
(ENDOTHIAPEPSIN)		Ritonavir5 / 12
ASP B 273
ASP B 297
ASP B 324
THR B 275
ILE B 323
1.44A21.65
None
None
None
EDO  B 403 (-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.
5B1A_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ILE A  86
LEU A  73
PHE A 123
THR A 175
1.25A21.40
9.54
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.
4ZOW_A_CLMA500_0
(MULTIDRUG
TRANSPORTER MDFA)		Chloramphenicol6 / 11
TYR A 231
LEU A 332
LEU A 312
LEU A 251
ILE A 236
LEU A 300
1.58A23.27
EDO  A 408 (-4.3A)
None
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.
2PIW_A_T3A932_1
(ANDROGEN RECEPTOR)		Liothyronine4 / 6
LEU A  73
VAL A 142
LYS A 181
ILE A  86
1.17A21.12
None
None
PEG  A 406 (-2.8A)
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.
5CSY_B_ACRB601_2
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		Acarbose4 / 5
TYR B 325
PHE B 123
LEU B 143
PRO B  68
1.60A22.81
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.
2AVV_A_MK1A901_3
(POL POLYPROTEIN)		Indinavir6 / 12
ALA A  81
ASP A 125
VAL A  67
ILE A 144
VAL A  70
ILE A  86
1.67A14.21
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.
4K50_A_ACTA506_0
(RNA POLYMERASE
3D-POL)		Acetic acid3 / 3
VAL B 339
GLY B 337
LYS B 335
1.48A21.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B53_B_ACTB1445_0
(IG GAMMA-4 CHAIN C
REGION)		Acetic acid3 / 3
GLU B  22
GLY B  21
SER B   2
0.82A15.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		Amsacrine4 / 6
PRO B  68
GLY B  77
ALA B  81
GLN B 188
1.46A18.68
None
PEG  B 411 ( 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.
4K36_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		S-Adenosylmethionine5 / 12
TYR A 279
ASN A 200
VAL A 295
ILE A 296
LEU A 346
1.61A24.09
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.
4KOT_A_CE3A205_1
(UNCHARACTERIZED
PROTEIN)		Cefotaxime5 / 12
PHE A 204
TYR A 238
GLY A 239
ILE A 236
LEU A 300
1.30A18.28
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.
2W3V_A_TOPA1169_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 12
VAL A 321
ILE A 307
PHE A 330
LEU A 251
TYR A 194
1.46A16.27
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.
1C9H_A_RAPA108_1
(FKBP12.6)		Sirolimus5 / 12
PHE B 233
ILE B 306
VAL B 276
ILE B 328
PHE B 342
1.45A16.48
None
None
EDO  B 403 (-3.9A)
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.
1NP1_A_HSMA303_1
(NITROPHORIN 1)		Histamine4 / 5
ASP A 301
LEU A 251
LEU A 298
LEU A 300
1.61A20.00
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.
1U18_B_HSMB402_1
(NITROPHORIN 1)		Histamine4 / 5
ASP A 301
GLU A 305
LEU A 298
LEU A 299
1.62A20.27
None
EDO  A 411 (-4.1A)
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.
6R2E_E_FFOE403_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 12
PHE B 233
ILE B 236
LEU B 346
LEU B 249
GLY B 247
1.58A22.08
None
None
None
None
CIT  B 408 (-3.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y69_C_CHDC1265_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 5
PHE B 233
PHE B 214
LEU B 215
PHE B 204
1.56A23.35
9.70
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.
1RMT_D_ADND1504_1
(CLASS B ACID
PHOSPHATASE)		Adenosine4 / 8
PHE A 233
LEU A 300
ASP A 301
TYR A 226
1.18A20.73
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.
5QH9_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
1.00A20.77
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.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		Cerulenin5 / 12
PHE B 264
HIS B 250
LEU B 255
GLY B 239
PHE B 241
1.69A22.10
None
CIT  B 408 (-3.9A)
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.
5HJI_A_ADNA401_1
(TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A)		Adenosine5 / 11
LEU A 143
TYR A 180
PHE A 177
GLY A 157
PRO A  68
1.45A25.55
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.
5JLI_A_ASCA202_0
(CYTOCHROME C')		Vitamin C4 / 5
ALA A 232
GLY A 337
CYH A 334
LYS A 335
1.29A15.09
None
EDO  A 404 ( 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.
2QB4_A_DSMA801_1
(TRANSPORTER)		Desipramine5 / 12
LEU A 266
LEU A 255
ILE A 281
LEU A 246
ASP A 283
1.51A21.87
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.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 12
PHE B 233
ILE B 236
LEU B 346
LEU B 249
GLY B 247
1.59A22.08
None
None
None
None
CIT  B 408 (-3.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JT4_A_ASCA202_0
(CYTOCHROME C')		Vitamin C4 / 5
ALA A 232
GLY A 337
CYH A 334
LYS A 335
1.29A15.18
None
EDO  A 404 ( 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.
5ACL_A_SASA1111_1
(MCG)		Sulfasalazine4 / 7
TYR B 180
TYR B 179
PRO B  68
PHE B 135
1.79A14.96
None
Potential target for repurposing, i.e. matched protein structure has less than 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
ALA B 284
ARG B 258
LYS B 260
LEU B 249
ILE B 281
1.64A20.82
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.
2IYF_A_ERYA1400_0
(OLEANDOMYCIN
GLYCOSYLTRANSFERASE)		Erythromycin5 / 11
VAL B 321
PHE B 330
ILE B 307
SER B 309
ASP B 297
1.74A19.96
EDO  B 412 (-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.
6B54_A_OAQA302_0
(SULFOTRANSFERASE)		Oxamniquine5 / 12
ILE B 307
LEU B 300
VAL B 237
LEU B 332
THR B 341
1.57A19.26
None
None
None
None
CIT  B 408 (-3.0A)
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.
1RJD_A_SAMA801_1
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		S-Adenosylmethionine4 / 6
ASP A  92
TYR A  89
ASN A 164
GLU A  42
1.60A21.04
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.
4LHM_A_AZZA510_1
(THYMIDINE
PHOSPHORYLASE)		Zidovudine5 / 11
LEU B 228
VAL B 237
ILE B 253
PHE B 222
LEU B 215
1.76A21.84
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.
2IEO_A_017A402_1
(PROTEASE)		Darunavir5 / 12
LEU B  58
ALA B  93
ASP B  92
PRO B  51
VAL B  54
1.37A13.93
None
None
EDO  B 401 ( 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.
1LBC_A_CYZA330_1
(GLUTAMINE RECEPTOR 2)		Cyclothiazide5 / 12
LYS A 159
PRO A 158
SER A 198
ILE A 169
SER A 162
1.72A22.40
EDO  A 413 (-4.5A)
EDO  A 413 (-4.6A)
None
EDO  A 403 (-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.
4A99_C_MIYC392_1
(TETX2 PROTEIN)		Minocycline5 / 12
GLU B 234
PHE B 214
VAL B 304
ILE B 307
ILE B 223
1.77A27.39
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.
5K7U_A_SAMA601_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		S-Adenosylmethionine5 / 12
ILE B 116
PRO A 119
LEU A 120
ARG B 139
ASN B 140
1.77A20.10
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.
6F7L_B_ACTB503_0
(AMINE OXIDASE LKCE)		Acetic acid3 / 3
VAL B 321
GLU B 327
ILE B 323
0.88A21.49
EDO  B 412 (-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.
5MUG_A_VIVA301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E6 / 12
VAL A 339
LEU A 228
ILE A 253
ILE A 306
LEU A 298
ILE A 296
1.67A20.68
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.
1KIJ_A_NOVA400_1
(DNA GYRASE SUBUNIT B)		Novobiocin5 / 12
ASP A  79
ILE B 116
ASP B  79
ILE B 108
THR B 115
1.77A22.13
EDO  A 407 (-4.0A)
None
EDO  B 404 (-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.
6DH6_A_017A104_0
(PROTEASE)		Darunavir6 / 12
ALA A  81
ASP A 125
VAL A  67
ILE A 144
VAL A  70
ILE A  86
1.75A14.48
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.
1EPB_B_9CRB165_1
(EPIDIDYMAL RETINOIC
ACID-BINDING PROTEIN)		Alitretinoin5 / 12
ILE B  86
VAL B  78
ALA B  82
ILE B 100
ILE B 108
1.33A22.05
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.
1HMY_A_SAMA328_0
(HAEIII
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 8
PHE A 330
ASP A 324
ILE A 323
THR A 196
PRO A 344
1.35A23.70
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.
6H7L_A_Y00A406_1
(BETA-1 ADRENERGIC
RECEPTOR)		Dobutamine4 / 6
GLY A 130
LEU A 134
PHE A 123
PHE A 177
1.31A21.63
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.
2O4P_A_TPVA300_1
(PROTEASE)		Tipranavir5 / 11
LEU B  58
ALA B  93
ASP B  92
PRO B  51
VAL B  54
1.49A13.55
None
None
EDO  B 401 ( 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.
3OSH_A_OINA5811_1
(PHOSPHOLIPASE A2
ISOFORM 3)		Hyoscyamine5 / 9
LEU A 300
PHE A 303
ILE A 236
GLY A 254
LYS A 257
1.79A15.16
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.
3HCR_B_CHDB924_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU B 252
ARG B 258
PRO B 344
GLY B 248
1.45A21.82
None
None
None
CIT  B 408 (-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.
2VDY_A_HCYA1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		Hydrocortisone5 / 12
VAL B 319
PHE B 303
ILE B 306
PHE B 342
HIS B 250
1.79A23.81
None
None
None
None
CIT  B 408 (-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.
4QVQ_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 9
ALA B  81
THR B  84
ALA B  82
ILE B  97
ASP B 107
1.73A20.16
20.73
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.
5QH1_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
1.01A20.77
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.
6BSH_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT
REVERSE
TRANSCRIPTASE P51
SUBUNIT)		Efavirenz5 / 11
LEU A 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.54A21.08
22.75
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.
4X1G_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		Ethinyl Estradiol5 / 12
ASP A 283
LEU A 246
ARG A 258
LEU A 255
ILE A 281
1.36A20.95
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.
2J5M_A_ACTA1321_0
(CHLOROPEROXIDASE)		Acetic acid4 / 6
LEU B 134
ILE B 100
VAL B 122
ALA B  82
1.26A21.73
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.
4A9K_B_TYLB2198_1
(CREB-BINDING PROTEIN)		Acetaminophen4 / 5
VAL B 237
LEU B 251
ILE B 253
VAL B 304
1.24A14.40
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.
3PRS_A_RITA1001_1
(ENDOTHIAPEPSIN)		Ritonavir5 / 10
ILE B 116
LEU A 120
THR B 115
THR A 106
ILE B  97
1.51A21.65
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.
3CV9_A_VDXA501_1
(CYTOCHROME P450-SU1)		Calcitriol5 / 9
THR B 341
VAL B 237
LEU B 228
ILE B 223
GLY B 247
1.55A22.39
CIT  B 408 (-3.0A)
None
None
None
CIT  B 408 (-3.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L39_A_SALA602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		Salicylic acid4 / 6
LEU A 190
TYR A 325
ILE A 144
GLY A 141
1.35A21.75
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.
2OPX_A_DXCA1001_0
(ALDEHYDE
DEHYDROGENASE A)		Deoxycholic Acid4 / 7
LEU B  73
PHE B 177
PHE B 123
ILE B  86
1.30A24.44
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.
2A15_A_NCAA1001_0
(HYPOTHETICAL PROTEIN
RV0760C)		Nicotinamide5 / 11
SER A 294
VAL A 276
ILE A 328
LEU A 251
LEU A 298
1.40A16.76
PEG  A 405 (-3.0A)
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.
4KS8_A_B49A701_1
(SERINE/THREONINE-PRO
TEIN KINASE PAK 6)		Sunitinib5 / 10
ILE A 306
VAL A 295
PHE A 342
LEU A 251
ASP A 297
1.54A22.34
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.
5O4Y_A_CCSA14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2)		Carbocisteine4 / 6
PHE A 259
LEU A 252
ARG A 258
GLY A 254
1.17A2.92
None
EDO  A 409 ( 4.6A)
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.
4JLT_A_8PRA505_1
(CYTOCHROME P450 2B4)		Paroxetine4 / 8
ILE B 116
ILE B  80
ALA B  82
PRO B 119
1.22A21.16
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.
3TMZ_A_06XA503_1
(CYTOCHROME P450 2B4)		Amlodipine5 / 11
ILE B 296
ILE B 236
GLU B 305
PRO B 344
VAL B 321
1.55A21.16
None
None
None
None
EDO  B 412 (-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.
2ZXW_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 7
ILE A  86
LEU A  73
PHE A 123
THR A 175
1.24A21.40
9.54
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.
3SFU_B_RBVB601_1
(RNA POLYMERASE)		Ribavirin5 / 9
ASP A 184
THR A 121
ASN A 140
GLY A 141
LEU A 190
1.70A22.08
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.
3SO9_A_017A100_2
(HIV-1 PROTEASE)		Darunavir5 / 12
LEU A 120
ALA A  81
ASP A 125
GLY A 101
VAL A 122
1.48A14.40
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.
4XLI_B_1N1B600_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)		Dasatinib5 / 12
ALA A 161
GLU A 171
VAL A 173
ILE A 169
THR A 175
1.37A23.61
None
EDO  A 403 ( 4.5A)
None
EDO  A 403 (-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.
3ADX_A_IMNA2_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin5 / 12
PHE B 342
GLN B 310
SER B 309
PHE B 303
TYR B 194
1.73A23.75
None
None
None
None
EDO  B 412 ( 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.
5KC4_A_RBFA201_2
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin3 / 3
LYS B 277
LEU B 298
ILE B 328
1.08A20.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HW8_A_FK5A201_1
(FK506-BINDING
PROTEIN 1)		Tacrolimus5 / 11
ASP B 297
ARG B 199
VAL B 304
ILE B 306
ILE B 323
1.16A15.56
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.
1OIP_A_VIVA1278_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E6 / 12
VAL A 339
LEU A 228
ILE A 253
ILE A 306
LEU A 298
ILE A 296
1.72A20.69
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.
2O4S_A_AB1A400_1
(PROTEASE)		Lopinavir6 / 12
ALA A  81
ASP A 125
VAL A  67
ILE A 144
VAL A  70
ILE A  86
1.66A13.55
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.
4X1F_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		Ethinyl Estradiol5 / 12
ASP B 283
LEU B 246
ARG B 258
LEU B 255
ILE B 281
1.36A20.95
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.
4K36_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		S-Adenosylmethionine5 / 12
TYR A 279
ASN A 200
VAL A 295
ILE A 296
LEU A 346
1.61A24.09
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.
1HXW_B_RITB301_2
(HIV-1 PROTEASE)		Ritonavir5 / 11
LEU B  58
ALA B  93
ASP B  92
PRO B  51
VAL B  54
1.32A12.30
None
None
EDO  B 401 ( 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.
3VW1_D_CVID301_0
(PUTATIVE REGULATORY
PROTEIN)		Gentian Violet5 / 12
LEU A 346
ILE A 296
SER A 294
ILE A 270
ASP A 273
1.54A19.41
None
None
PEG  A 405 (-3.0A)
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.
2O7O_A_DXTA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		Doxycycline5 / 12
SER B 274
ASN B  75
PRO B 344
VAL B 276
ILE B 323
1.52A19.46
EDO  B 403 (-2.8A)
EDO  B 403 (-4.6A)
None
EDO  B 403 (-3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IYF_B_ERYB1399_0
(OLEANDOMYCIN
GLYCOSYLTRANSFERASE)		Erythromycin5 / 12
VAL A 319
PHE A 330
ILE A 236
LEU A 228
ASP A 301
1.31A19.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A9J_A_TYLA1188_1
(BROMODOMAIN
CONTAINING 2)		Acetaminophen4 / 5
VAL B 237
LEU B 251
LEU B 300
ILE B 307
1.28A17.68
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.
3AF3_A_PAUA314_0
(PANTOTHENATE KINASE)		Pantothenic acid4 / 6
PHE B 214
MET B 210
PHE B 222
PHE B 233
1.65A21.13
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.
3R9C_A_ECLA451_1
(CYTOCHROME P450
164A2)		Econazole6 / 10
ALA B 118
LEU B 134
ILE B 100
ALA B  81
THR B  84
VAL B 128
1.75A19.68
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.
1JKH_A_EFZA999_1
(HIV-1 RT, A-CHAIN
HIV-1 RT, B-CHAIN)		Efavirenz5 / 11
LEU A 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.51A21.48
23.18
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.
4AGC_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Axitinib5 / 12
ILE B 270
LEU B  73
VAL B  70
ALA B  95
GLY B  77
1.27A24.88
None
None
None
None
PEG  B 411 ( 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.
1FKL_A_RAPA108_1
(FK506 BINDING
PROTEIN)		Sirolimus5 / 12
TYR A 226
ASP A 213
GLU A 305
VAL A 304
PHE A 222
1.49A15.09
None
None
EDO  A 411 (-4.1A)
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.
4O2B_D_LOCD503_2
(TUBULIN BETA-2B
CHAIN)		Colchicine6 / 12
ALA B 138
ALA B 109
ILE B  80
LYS B 111
ALA B  82
ILE B 108
1.58A20.83
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.
5QGW_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
1.00A20.77
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.
6B89_A_NOVA403_1
(LIPOPOLYSACCHARIDE
EXPORT SYSTEM
ATP-BINDING PROTEIN
LPTB)		Novobiocin5 / 10
ALA B  82
PRO B  68
GLU B  69
VAL B 128
ARG B 127
1.62A21.37
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.
5MIO_B_LOCB502_1
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU A 251
THR A 326
ILE A 306
LYS A 320
ILE A 323
1.35A20.83
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.
6B50_A_OAQA302_0
(SULFOTRANSFERASE
OXAMNIQUINE
RESISTANCE PROTEIN)		Oxamniquine5 / 12
LEU A 252
VAL A 276
ASP A 324
SER A 198
THR A 326
1.69A20.11
EDO  A 409 ( 4.6A)
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.
3AG3_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 5
PHE B 233
PHE B 214
LEU B 215
PHE B 204
1.70A23.35
9.54
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.
2NNH_B_9CRB501_1
(CYTOCHROME P450 2C8)		Alitretinoin5 / 9
ARG A 127
ILE A 144
VAL A  67
ILE A  86
VAL A  70
1.72A24.24
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.
5ECN_D_LEUD602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		L-Leucine4 / 8
ILE A 144
ALA A  81
VAL A  78
VAL A  67
1.29A22.34
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.
4KEB_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
LEU A  76
GLN A 176
ILE A 144
ASN A 178
THR A 275
1.43A19.28
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.
2O4N_A_TPVA300_1
(PROTEASE)		Tipranavir5 / 12
ARG A 207
LEU A 299
ASP A 302
ILE A 296
ILE A 328
1.43A13.39
EDO  A 413 ( 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.
1WRK_A_TFPA204_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Trifluoperazine6 / 9
PHE B 233
VAL B 237
LEU B 251
PHE B 222
MET B 210
SER B 208
1.36A14.68
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.
5JS5_A_ASCA202_0
(CYTOCHROME C')		Vitamin C3 / 3
CYH A 334
LYS A 335
HIS A 338
1.28A17.48
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.
4A79_A_P1BA601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		Pioglitazone5 / 12
PRO A 344
LEU A 251
ILE A 306
ILE A 296
PHE A 195
1.38A19.58
None
None
None
None
EDO  A 414 (-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.
6FBP_B_ADNB404_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		Adenosine5 / 12
ASP B 283
ILE B 281
HIS B 235
ASP B 240
SER B 289
1.76A23.69
None
None
CIT  B 408 (-4.2A)
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.
3S53_A_017A201_1
(PROTEASE)		Darunavir5 / 9
GLY A 254
ASP A 283
ILE A 281
GLY A 248
ILE A 236
1.53A13.93
None
None
None
CIT  A 412 (-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.
4HLA_A_017A200_1
(PROTEASE)		Darunavir5 / 12
LEU B  58
ALA B  93
ASP B  92
PRO B  51
VAL B  54
1.38A12.30
None
None
EDO  B 401 ( 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.
5NNW_D_GCSD302_1
(25 KDA PROTEIN
ELICITOR)		Glucosamine4 / 7
GLY B 248
HIS B 235
HIS B 243
ASP B 240
1.49A19.07
CIT  B 408 (-3.5A)
CIT  B 408 (-4.2A)
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.
4DAJ_B_0HKB2000_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR M3,
LYSOZYME)		Tiotropium3 / 3
ASN A 278
LEU A 255
PHE A 280
1.00A21.22
PEG  A 405 (-3.9A)
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.
5OGC_B_TA1B601_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL B 128
LEU B  73
PHE B 124
PRO B 112
GLY B 101
1.67A21.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICT_D_T44D129_2
(TRANSTHYRETIN)		Levothyroxine5 / 7
LEU B  76
THR B 196
LEU B 190
SER B 155
THR B 193
1.73A16.34
None
None
None
EDO  B 410 (-3.6A)
EDO  B 410 (-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.
3A27_A_SAMA250_0
(UNCHARACTERIZED
PROTEIN MJ1557)		S-Adenosylmethionine5 / 12
GLY B 141
ASP B 125
ARG B 127
TYR B 179
PHE B 177
1.50A23.12
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.
5QH6_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
1.00A20.77
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.
1NV8_A_SAMA300_0
(HEMK PROTEIN)		S-Adenosylmethionine5 / 12
THR A  84
VAL A 166
ASN A  63
PRO A  66
ALA A 161
1.36A25.00
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		Pemetrexed3 / 3
ARG A  62
THR A  49
THR A  99
1.27A21.48
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.
5QHA_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 186
VAL A 187
GLN A 189
0.98A20.77
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.
6R2E_F_FFOF403_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 11
PHE B 233
ILE B 236
LEU B 346
LEU B 249
GLY B 247
1.54A22.08
None
None
None
None
CIT  B 408 (-3.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J7W_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		Methotrexate5 / 12
GLU A 114
ILE A 116
GLY A 101
ILE A  80
ALA A  81
1.46A22.00
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Ketoconazole5 / 12
PHE A 303
PHE A 241
ALA A 284
THR A 282
ILE A 281
1.60A21.58
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.
2CDQ_B_SAMB1500_0
(ASPARTOKINASE)		S-Adenosylmethionine4 / 7
SER B 313
ASP B 311
SER B 309
LEU B 332
1.54A21.35
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.
5EWZ_B_BEZB301_0
(14-3-3 PROTEIN
ZETA/DELTA)		Benzoic Acid3 / 3
MET A 210
GLN A 209
ARG A 225
1.55A23.66
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.
3O5R_A_FK5A1001_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		Tacrolimus5 / 11
ASP B 297
ARG B 199
VAL B 304
ILE B 306
ILE B 323
1.20A16.98
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.
1VRT_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		Nevirapine5 / 9
LEU A 190
VAL A 142
TYR A 180
GLY A 141
TYR A 325
1.54A21.31
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.
2CP4_A_CAMA416_0
(CYTOCHROME P450-CAM)		Camphor5 / 10
THR A  48
THR A 106
VAL A  54
VAL A  85
VAL A 102
1.57A22.94
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.
5SYE_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL A  78
LEU A  58
HIS A  96
ALA A  81
PRO A  68
1.61A23.40
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.
3FW3_B_ETSB303_1
(CARBONIC ANHYDRASE 4)		Dorzolamide5 / 12
ASN A  75
VAL A 321
ILE A 306
LEU A 298
THR A 196
1.52A23.56
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.
2HJH_A_NCAA900_0
(NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2)		Nicotinamide4 / 5
ILE B 328
PRO B 344
PHE B 342
ILE B 306
1.63A21.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OWR_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		Dasatinib4 / 8
ALA A  82
ILE A 100
ASP A  79
VAL A 149
1.33A22.46
None
None
EDO  A 407 (-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.
3UA5_B_06XB501_1
(CYTOCHROME P450 2B6)		Amlodipine4 / 7
ILE B  80
ILE B  97
LEU B  58
VAL B 102
1.14A21.93
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.
5ZV2_A_LEVA801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		Lenvatinib3 / 3
LYS B 150
LEU B 143
ASP B 133
0.84A21.89
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.
3VAW_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN
SMT3,PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		Tacrolimus5 / 11
ASP B 297
ARG B 199
VAL B 304
ILE B 306
ILE B 323
1.15A23.26
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.
4XE5_A_OBNA1104_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		Ouabain5 / 12
LEU A 252
GLU A 234
GLY A 254
ALA A 256
PHE A 222
1.53A15.89
EDO  A 409 ( 4.6A)
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.
3NK7_B_SAMB770_0
(23S RRNA
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ASN B 140
LEU B  73
GLY B  77
ILE B 144
LEU B 143
1.44A22.95
None
None
PEG  B 411 ( 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.
4EJG_B_NCTB501_1
(CYTOCHROME P450 2A13)		Nicotine5 / 8
PHE A 342
PHE A 233
ALA A 232
LEU A 312
LEU A 332
1.57A24.69
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.
4L7I_B_SAMB501_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		S-Adenosylmethionine4 / 8
ARG B 139
ASP B  79
LEU B 120
ILE B 108
1.17A24.44
None
EDO  B 404 (-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.
6FZB_B_SRYB301_1
(STREPTOMYCIN
3''-ADENYLYLTRANSFER
ASE)		Streptomycin5 / 12
ASP A 301
GLU A 211
ASP A 297
LEU A 249
ILE A 236
1.75A21.43
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.
4Z53_H_TR6H101_1
(DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A
E-SITE DNA)		Trovafloxacin4 / 7
ARG A 258
GLY A 247
ASP A 240
SER A 262
1.16A18.27
None
CIT  A 412 (-3.1A)
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.
3RHW_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE A  97
THR B 106
SER B  98
ILE A 108
ILE B 108
1.43A21.87
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.
3BWC_A_SAMA501_0
(SPERMIDINE SYNTHASE)		S-Adenosylmethionine5 / 12
GLY B 147
ILE B 144
VAL B 156
ASP B 125
GLY B 126
1.16A25.00
EDO  B 413 (-3.2A)
None
EDO  B 406 ( 3.7A)
None
EDO  B 413 ( 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.
4I41_A_MIXA500_2
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		Mitoxantrone4 / 4
LEU B 255
LEU B 300
GLN B 202
GLU B 261
1.60A20.98
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.
3JAY_A_SAMA1102_1
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine3 / 3
ARG A 127
ASP A 129
ASP A 125
1.21A15.88
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.
2B0Q_A_NMYA305_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E)		Framycetin5 / 12
GLU A  69
GLU A 146
SER A 162
ARG A 127
ASP A 125
1.57A23.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUD_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir5 / 12
GLY B 141
ILE B 116
ALA B 138
ARG B 139
ALA B 118
1.44A20.05
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.
4XDT_A_ACTA407_0
(FAD:PROTEIN FMN
TRANSFERASE)		Acetic acid3 / 3
ASP B 129
GLY B 130
ASP B 133
1.35A23.13
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.
4XI3_D_29SD601_1
(ESTROGEN RECEPTOR)		Bazedoxifene5 / 12
THR A 341
ALA A 232
GLU A 234
LEU A 228
LEU A 332
1.57A21.29
CIT  A 412 (-3.0A)
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.
3ZWI_A_ASCA156_0
(CYTOCHROME C')		Vitamin C4 / 5
ALA A 232
GLY A 337
CYH A 334
LYS A 335
1.35A17.07
None
EDO  A 404 ( 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.
1EPB_A_9CRA165_1
(EPIDIDYMAL RETINOIC
ACID-BINDING PROTEIN)		Alitretinoin5 / 12
ILE B  86
VAL B  78
ALA B  82
ILE B 100
ILE B 108
1.39A22.05
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.
1UWJ_A_BAXA1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib4 / 7
ILE A  72
ILE A 100
ILE A 108
ASP A  79
1.05A19.95
None
None
None
EDO  A 407 (-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.
4DM8_A_REAA501_1
(RETINOIC ACID
RECEPTOR BETA)		Tretinoin5 / 11
LEU B 300
LEU B 251
ILE B 253
SER B 294
ILE B 306
1.53A25.46
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.
5CDN_G_EVPG2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		Etoposide4 / 6
SER A 155
GLY A 126
ASP A 125
ARG A 127
1.25A21.53
22.37
EDO  A 414 ( 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.
1RX3_A_MTXA161_2
(DIHYDROFOLATE
REDUCTASE)		Methotrexate3 / 3
LYS B  65
ILE B  86
THR B 167
1.37A17.34
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.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)		Bifonazole6 / 12
LEU A  73
LEU A  76
ILE A  72
ASN A 178
THR A 145
PHE A 123
1.58A21.16
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.
4EK1_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor5 / 9
THR A  48
THR A 106
VAL A  54
VAL A  85
VAL A 102
1.54A22.94
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.
2J2P_A_SC2A1290_1
(FICOLIN-2)		Acetylcysteine4 / 5
SER A 242
LEU A 249
GLY A 247
ARG A 258
1.74A19.78
None
None
CIT  A 412 (-3.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MXB_A_ML1A222_1
(CLASS 10 PLANT
PATHOGENESIS-RELATED
PROTEIN)		Melatonin5 / 10
VAL A 276
THR A 275
ILE A 296
LEU A 298
PHE A 330
1.43A20.00
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.
3OGP_A_017A200_1
(FIV PROTEASE)		Darunavir5 / 9
GLY A  77
ASP A  79
ILE A  80
GLY A 141
LEU A  73
1.28A15.01
PEG  A 406 ( 3.4A)
EDO  A 407 (-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.
3CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 9
ASN A  63
SER A 162
LEU A  73
VAL A  78
ILE A  86
1.63A20.58
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.
2PYM_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		Nelfinavir6 / 12
GLY A 157
ASN A 178
ILE A 169
PRO A  66
VAL A  67
ILE A 144
1.69A13.82
None
None
EDO  A 403 (-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.
4IKL_B_SUZB201_1
(TRANSTHYRETIN)		Sulindac5 / 8
SER A 244
LEU A 249
LEU A 246
SER A 288
THR A 286
1.65A16.34
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.
4QZT_A_ACTA202_0
(RETINOL-BINDING
PROTEIN 2)		Acetic acid4 / 6
GLU B  69
THR B 167
LEU B 168
GLN B 160
1.70A15.09
None
None
None
EDO  B 407 (-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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)		Fosfomycin5 / 8
GLY B 247
GLY B 248
HIS B 235
ILE B 236
THR B 341
1.30A24.87
CIT  B 408 (-3.1A)
CIT  B 408 (-3.5A)
CIT  B 408 (-4.2A)
None
CIT  B 408 (-3.0A)