PDB ID: 3ebn


Macromolecule:
REPLICASE POLYPROTEIN 1AB

Source Organism:
SARSr-CoV

Gene names:
1a-1b
rep

UniProt ID:
P0C6X7

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '3ebn'

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.
3A50_A_VD3A2001_1
(VITAMIN D
HYDROXYLASE)		Cholecalciferol5 / 12
ILE B 213
ASN B 221
LEU D 253
ALA B 206
LEU D 282
1.42A17.38
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.
2OK6_D_BEZD2002_0
(AROMATIC AMINE
DEHYDROGENASE, LARGE
SUBUNIT
AROMATIC AMINE
DEHYDROGENASE, SMALL
SUBUNIT)		Benzoic Acid5 / 9
PHE C 223
ASN A 277
GLY A 275
LEU A 271
ASN A 274
1.71A16.62
18.49
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.
5JN8_B_AZMB701_1
(CARBONIC ANHYDRASE 4)		Acetazolamide5 / 11
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.48A16.36
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.
3DAZ_A_MZMA263_1
(CARBONIC ANHYDRASE 2)		Methazolamide5 / 10
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.59A19.15
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.
1RS6_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
GLN B 273
PHE B 230
ASN B 228
ASP B 229
1.61A15.62
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.
2PO5_A_CHDA502_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 8
MET B 264
LEU D 220
LEU B 282
VAL B 296
1.08A17.09
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.
2WEK_A_DIFA1376_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		Diclofenac4 / 8
TYR D 209
LEU D 208
LEU D 205
ALA B 267
1.55A16.42
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.
1I2W_A_CFXA1300_2
(BETA-LACTAMASE)		Cefoxitin4 / 5
TYR A 209
LEU C 271
THR C 224
ARG C 222
1.28A17.99
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.
5ESE_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Fluconazole5 / 8
TYR B 209
LEU B 208
ILE B 213
GLY B 215
LEU B 220
1.75A13.26
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.
1XKK_A_FMMA91_2
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Lapatinib5 / 9
LEU D 287
VAL B 204
LEU B 202
LEU D 272
LEU D 250
1.59A14.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
THR B 243
GLU B 240
THR D 199
LEU B 268
1.28A16.94
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.
2AVV_A_MK1A901_1
(POL POLYPROTEIN)		Indinavir6 / 12
LEU C 220
ASP A 263
ALA A 260
GLY A 251
VAL C 212
ILE A 259
1.73A18.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JNA_B_TORB302_1
(CARBONIC ANHYDRASE 4)		Topiramate5 / 12
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.52A16.36
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.
5MM4_B_TA1B501_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 10
GLU C 270
LEU A 250
ALA A 266
THR C 201
LEU A 272
1.63A11.27
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.
5TT3_F_EZLF302_1
(ALPHA-CARBONIC
ANHYDRASE)		Ethoxzolamide4 / 8
HIS B 246
VAL B 247
LEU D 205
THR D 201
1.42A18.22
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.
2BYO_A_LNLA1217_1
(LIPOPROTEIN LPPX)		Alpha-Linolenic Acid4 / 4
VAL B 233
LEU D 220
ILE B 259
LEU D 208
1.33A22.22
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.
3A51_A_VDYA6178_1
(VITAMIN D
HYDROXYLASE)		Calcidiol5 / 11
ILE D 249
LEU B 202
VAL D 297
PRO D 252
LEU D 253
1.47A17.38
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.
1RLB_E_REAE176_1
(RETINOL BINDING
PROTEIN)		Tretinoin5 / 10
LEU D 271
ALA D 267
MET D 264
LEU B 205
ASP B 216
1.63A18.08
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.
2AVD_B_SAMB601_1
(CATECHOL-O-METHYLTRA
NSFERASE)		S-Adenosylmethionine3 / 3
SER A 284
GLU A 290
ASP A 295
1.38A18.10
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.
5UHD_C_RFPC1201_2
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Rifampicin4 / 4
ARG B 222
PHE D 223
ASP D 263
LEU D 272
1.52A7.96
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.
5M50_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL B 212
ASP B 216
THR B 201
ARG D 222
LEU D 268
1.56A11.27
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.
3IAI_A_AZMA263_1
(CARBONIC ANHYDRASE 9)		Acetazolamide5 / 11
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.54A15.89
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.
4XI3_B_29SB601_2
(ESTROGEN RECEPTOR)		Bazedoxifene4 / 5
LEU B 272
GLU B 270
MET B 264
LEU D 205
1.71A24.00
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.
3MSS_B_STIB1_2
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 7
VAL C 212
VAL C 204
ILE A 281
ARG A 222
1.10A17.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KU6_A_MZMA301_1
(CARBONIC ANHYDRASE 4)		Methazolamide5 / 10
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.47A16.36
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.
1OHR_A_1UNA201_1
(ASPARTYLPROTEASE)		Nelfinavir5 / 11
ASP C 216
GLY C 215
ALA C 211
ILE A 259
ILE A 281
1.44A19.67
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.
3KO0_B_TFPB202_1
(PROTEIN S100-A4)		Trifluoperazine3 / 3
GLU A 288
LEU A 287
ASP A 289
1.06A20.80
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.
2D0K_A_FOLA1161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA B 266
LEU D 205
ILE B 281
LEU B 287
THR B 225
1.36A24.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XIW_A_AZMA402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		Acetazolamide5 / 12
GLU C 240
HIS C 246
VAL C 247
LEU A 205
THR A 201
1.61A20.87
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.
3VAS_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		Adenosine6 / 12
ILE B 281
LEU D 208
GLY B 275
ASN B 277
LEU B 268
GLY B 278
1.54A14.88
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.
4XLI_B_1N1B600_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)		Dasatinib5 / 12
LEU C 208
GLU A 240
ILE C 200
LEU A 272
ALA A 234
1.28A17.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JBT_B_ASDB502_1
(CYTOCHROME P450
MONOOXYGENASE)		4-Androstenedione5 / 11
MET C 264
PHE A 219
ALA A 211
ALA A 210
LEU C 250
1.47A15.58
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.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 12
SER A 284
ILE A 286
LEU D 287
LEU A 272
GLY A 275
1.73A21.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FUM_C_MIXC2539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		Mitoxantrone5 / 12
LEU D 282
GLY D 283
ALA B 211
ASN A 238
MET D 276
1.37A17.67
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.
3IHZ_A_FK5A501_2
(70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE)		Tacrolimus4 / 8
PHE D 223
GLY D 258
SER D 254
ILE D 259
1.20A19.08
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.
2JAP_A_J01A1249_1
(CLAVALDEHYDE
DEHYDROGENASE)		Clavulanate6 / 12
LEU C 250
ILE A 213
ALA A 210
VAL C 297
ALA A 206
THR C 257
1.70A20.82
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.
5VOO_D_C2FD3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		Levomefolic acid5 / 12
ASN A 238
GLY D 278
VAL B 204
LEU D 268
ILE D 281
1.40A17.79
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.
4K0Z_A_MZMA308_1
(CARBONIC ANHYDRASE 2)		Methazolamide5 / 12
HIS D 246
VAL D 247
LEU D 262
LEU B 205
THR B 201
1.51A18.22
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.
4Y0S_A_PX9A201_0
(BETA-LACTOGLOBULIN)		Pramocaine5 / 12
LEU C 202
LEU A 250
ILE A 249
VAL A 296
PHE A 294
1.11A19.14
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.
5UUN_B_ACTB307_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid3 / 3
LEU C 205
ALA C 206
LEU A 242
0.59A16.72
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.
6CHG_C_SAMC1101_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-4 SPECIFIC)		S-Adenosylmethionine5 / 12
ILE D 200
PHE B 291
ASN D 203
HIS B 246
LEU B 242
1.53A17.18
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.
1DYI_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA B 266
LEU D 205
ILE B 281
LEU B 287
THR B 225
1.46A24.10
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.
4XIW_B_AZMB402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		Acetazolamide5 / 12
GLN D 244
VAL D 247
LEU D 262
THR D 225
THR D 226
1.59A20.87
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.
4QLG_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA B 266
LEU D 205
ILE B 281
LEU B 287
THR B 225
1.52A23.12
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.
2EGV_A_SAMA1300_0
(UPF0088 PROTEIN
AQ_165)		S-Adenosylmethionine6 / 12
LEU B 253
VAL B 296
LEU B 250
LEU D 202
THR B 292
ALA D 206
1.72A15.95
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.
2OIQ_A_STIA1001_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Imatinib5 / 12
VAL C 204
GLU A 240
ILE C 200
LEU A 272
ALA A 234
1.41A19.72
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.
3N8Z_B_FLPB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Flurbiprofen5 / 12
ARG A 217
LEU C 253
LEU C 282
ILE A 213
LEU A 220
1.48A11.27
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.
3N2O_C_AG2C1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)		Agmatine4 / 8
SER B 284
LEU B 271
TRP D 218
ASP D 216
1.36A11.97
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.
3CJT_K_SAMK302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU B 242
LEU B 272
ASP B 263
LEU D 205
LEU B 250
1.48A17.72
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.
4QMS_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		Dasatinib5 / 11
ALA C 206
GLU A 290
TYR C 209
LEU C 208
LEU A 268
1.63A14.75
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		Diazoxide4 / 7
VAL C 212
ILE A 259
ARG A 222
ALA A 267
1.21A12.24
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.
2EUF_B_LQQB401_1
(CELL DIVISION
PROTEIN KINASE 6)		Palbociclib5 / 12
LYS B 269
VAL B 247
ASN B 228
LEU B 227
ASP B 229
1.30A19.29
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.
5HNZ_B_TA1B902_2
(TUBULIN BETA-2B
CHAIN)		Paclitaxel3 / 3
LEU C 268
LEU A 208
ARG A 222
0.67A11.94
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.
2YLO_A_TESA1920_1
(ANDROGEN RECEPTOR)		Testosterone5 / 12
LEU B 272
LEU B 271
MET B 264
ARG B 222
THR D 201
1.79A18.68
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.
5ECL_D_ILED602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		L-Isoleucine4 / 6
ILE A 213
ALA C 255
THR C 257
VAL C 297
0.96A11.82
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.
2JFA_A_RALA600_2
(ESTROGEN RECEPTOR)		Raloxifene4 / 5
LEU D 272
ASP D 229
MET D 264
LEU B 208
1.61A22.37
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.
3L4D_D_TPFD490_1
(STEROL 14-ALPHA
DEMETHYLASE)		Fluconazole4 / 8
PHE A 219
ALA A 211
ALA A 210
LEU C 250
1.29A13.51
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.
3UQ6_A_ADNA401_1
(ADENOSINE KINASE,
PUTATIVE)		Adenosine5 / 12
ILE D 286
GLY D 278
ASN D 277
THR C 198
GLY D 275
1.21A14.79
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.
1J8U_A_H4BA429_1
(PHENYLALANINE-4-HYDR
OXYLASE)		Sapropterin5 / 7
VAL C 296
LEU A 205
LEU C 253
SER C 254
ALA C 260
1.78A15.12
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.
1HXW_B_RITB301_1
(HIV-1 PROTEASE)		Ritonavir5 / 9
GLY D 215
GLY B 258
ILE B 259
VAL B 296
ILE D 213
1.42A19.84
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.
4OTW_A_DB8A1101_2
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3)		Bosutinib3 / 3
LEU D 202
LEU B 272
ASN B 231
1.01A15.38
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.
1RUK_L_ACTL611_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		Acetic acid4 / 6
LEU A 220
TRP A 218
ASN A 221
PHE A 223
1.47A18.64
20.09
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)		Estrone5 / 11
LEU D 208
LEU B 271
LEU D 220
ARG B 222
LEU B 282
1.76A23.15
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.
3DZU_A_9CRA7223_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ASN D 214
ILE D 213
LEU D 220
VAL D 204
LEU B 282
1.45A13.62
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.
4QLE_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 11
ALA B 266
LEU D 205
ILE B 281
LEU B 287
THR B 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.
4X1Y_B_LOCB502_1
(TUBULIN BETA CHAIN)		Colchicine6 / 12
LEU B 242
LEU B 272
ALA B 234
ASN B 238
VAL D 204
ILE D 200
1.73A11.94
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.
1ZSB_A_AZMA264_1
(CARBONIC ANHYDRASE
II)		Acetazolamide5 / 12
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.58A19.15
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.
2F8D_A_BEZA1002_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		Benzoic Acid5 / 10
GLY A 275
LEU A 271
ILE A 281
PHE C 219
ARG A 279
1.62A18.92
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.
1SN0_C_T44C601_1
(TRANSTHYRETIN)		Levothyroxine5 / 9
LEU A 202
LEU C 250
LEU A 208
GLU C 288
ALA A 206
1.69A22.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VAS_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		Adenosine6 / 12
ILE B 281
LEU D 208
GLY B 275
ASN B 277
LEU B 268
GLY B 278
1.56A14.88
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.
2NNH_A_9CRA502_1
(CYTOCHROME P450 2C8)		Alitretinoin5 / 12
SER C 284
ILE C 281
LEU C 271
ASN B 238
VAL A 204
1.44A11.97
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.
4KUO_A_RBFA500_1
(BLUE-LIGHT
PHOTORECEPTOR)		Riboflavin5 / 12
VAL B 233
ASN C 277
GLN C 273
ASN B 274
GLN B 273
1.76A19.21
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.
4IIZ_B_LURB201_1
(TRANSTHYRETIN)		Lumiracoxib4 / 8
LEU A 202
ALA A 206
LEU A 205
VAL C 297
1.29A19.85
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.
3AIC_A_ACRA5044_2
(GLUCOSYLTRANSFERASE-
SI)		Acarbose3 / 3
LEU A 202
TRP A 207
TYR C 239
1.52A8.93
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.
4DM8_B_REAB1501_1
(RETINOIC ACID
RECEPTOR BETA)		Tretinoin5 / 12
LEU D 220
ALA B 267
LEU B 272
LEU B 271
LEU B 242
1.36A14.93
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.
1G50_C_ESTC2600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU A 227
GLU A 240
LEU C 202
LEU C 205
GLY A 251
1.72A24.00
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.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		Cefoxitin5 / 12
ASN D 274
ASN B 274
GLU B 270
THR D 225
ALA D 267
1.63A17.99
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.
3KWA_A_SPMA300_1
(CARBONIC ANHYDRASE 2)		Spermine5 / 11
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.63A19.15
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.
1WSV_A_THHA3001_1
(AMINOMETHYLTRANSFERA
SE)		Levomefolic acid3 / 3
ASP D 289
GLU A 288
TYR A 239
1.42A15.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P93_A_DEXA1999_1
(GLUCOCORTICOID
RECEPTOR)		Betamethasone5 / 12
MET A 264
LEU C 205
LEU A 242
THR A 257
ILE A 259
1.47A20.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FCT_B_C2FB402_1
(THYMIDYLATE SYNTHASE)		Levomefolic acid3 / 3
ASN A 221
ASP A 216
GLY A 215
1.03A17.67
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.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		Valdecoxib5 / 12
GLN D 244
VAL D 247
LEU D 262
THR D 225
THR D 226
1.60A19.15
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.
4YGF_B_AZMB303_1
(ALPHA-CARBONIC
ANHYDRASE)		Acetazolamide5 / 11
GLU A 240
HIS A 246
VAL A 247
LEU C 205
THR C 201
1.60A18.22
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.
4MDA_A_RLTA403_1
(MARINER MOS1
TRANSPOSASE)		Raltegravir4 / 6
ASN A 231
ALA A 234
TYR A 237
ASP B 229
1.58A19.11
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.
4CSV_A_STIA1265_1
(SRC-ABL TYROSINE
KINASE ANCESTOR)		Imatinib5 / 12
VAL C 296
ALA A 210
GLU C 288
ILE C 286
ASP C 289
1.39A18.53
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.
4XK8_A_PQNA844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		Phylloquinone4 / 7
PHE D 230
ARG D 222
ALA D 267
LEU D 268
1.57A10.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YFB_A_ACTA501_0
(METHYL-ACCEPTING
CHEMOTAXIS
TRANSDUCER)		Acetic acid4 / 7
MET C 264
ASP C 263
VAL A 212
TYR A 209
1.63A23.50
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.
2JIH_B_097B1001_1
(ADAMTS-1)		Marimastat4 / 8
LEU C 242
THR A 201
GLU C 240
LEU C 250
1.12A19.27
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.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 12
ILE A 281
ASN D 238
LEU A 268
PHE C 219
TYR A 237
1.55A19.12
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.
2WD9_C_IBPC1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		Ibuprofen5 / 10
THR B 198
ILE A 286
LEU A 287
GLY A 275
THR A 285
1.56A9.67
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.
4FOG_D_C2FD302_0
(THYMIDYLATE SYNTHASE)		Levomefolic acid5 / 11
ILE C 259
LEU C 242
LEU C 253
GLY C 251
ALA A 206
1.63A21.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		Bepridil6 / 10
VAL C 204
LEU C 205
LEU A 242
LEU A 272
THR C 198
LEU A 268
1.49A13.69
22.98
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.
6AUU_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
GLN B 273
PHE B 230
ASN B 228
ASP B 229
1.58A15.62
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.
4EJ1_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA B 266
LEU D 205
ILE B 281
LEU B 287
THR B 225
1.53A24.38
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.
3BJW_B_SVRB512_1
(PHOSPHOLIPASE A2)		Suramin4 / 5
VAL D 296
VAL D 297
THR D 257
THR D 292
1.70A16.67
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.
6AG0_A_ACRA608_0
(ALPHA-AMYLASE)		Acarbose4 / 6
GLY B 275
GLN B 273
TYR B 237
TYR C 237
1.50A13.36
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.
4RTB_A_SAMA501_1
(HYDG PROTEIN)		S-Adenosylmethionine3 / 3
GLU B 270
ARG B 222
GLN D 273
1.47A14.79
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.
1YC2_D_NCAD510_0
(NAD-DEPENDENT
DEACETYLASE 2)		Nicotinamide4 / 5
ALA B 267
PHE D 219
ILE B 259
ASP B 263
1.30A15.02
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.
4XUM_A_IMNA502_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin4 / 7
GLU B 290
ILE C 286
LEU C 272
ILE B 286
1.50A16.55
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.
3V2M_A_AZMA303_1
(CARBONIC ANHYDRASE 2)		Acetazolamide5 / 10
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.58A19.15
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.
3ABM_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 5
ARG B 222
PHE B 230
LEU B 271
PHE D 219
1.63A19.23
21.59
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.
5KIR_A_RCXA601_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Rofecoxib3 / 3
ARG C 279
ILE C 281
PHE A 219
0.83A12.95
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.
5Z84_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ARG B 222
PHE B 230
LEU B 271
PHE D 219
1.60A19.23
21.59
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.
5HPU_A_IPHA101_0
(INSULIN, CHAIN A
INSULIN, CHAIN B)		Phenol4 / 4
CYH A 265
LEU A 250
LEU C 205
ALA C 206
1.65A20.45
25.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V01_B_0LIB1770_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		Ponatinib5 / 9
LEU C 262
VAL C 261
ARG C 298
LEU C 242
ILE A 200
1.64A18.21
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.
5HIE_D_P06D801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib4 / 8
ILE A 259
GLY A 258
PHE A 294
CYH A 265
1.10A19.15
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.
4EQL_A_SALA602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		Salicylic acid4 / 7
THR C 199
ILE D 286
THR D 280
GLY D 278
1.09A11.80
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.
5JN8_C_AZMC701_1
(CARBONIC ANHYDRASE 4)		Acetazolamide5 / 9
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.48A16.36
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.
2W9H_A_TOPA1160_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 10
LEU D 242
LEU B 205
VAL D 261
ILE D 249
THR D 225
1.50A23.08
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.
5HQA_A_ACRA705_2
(ALPHA-GLUCOSIDASE)		Acarbose4 / 8
ASN B 274
TRP B 218
PHE B 223
THR D 224
1.74A9.71
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.
5V96_A_ADNA502_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		Adenosine4 / 4
GLU D 240
THR D 243
THR D 225
LEU D 232
1.75A14.69
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.
2BXP_A_P1ZA3001_1
(SERUM ALBUMIN)		Phenylbutazone6 / 12
LEU D 208
PHE D 219
LEU D 205
ALA B 260
ILE B 259
ALA B 266
1.50A12.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M24_A_9CRA501_1
(RETINOIC ACID
RECEPTOR GAMMA)		Alitretinoin5 / 12
ALA B 210
LEU D 282
ILE D 281
PHE B 219
ILE B 213
1.45A19.58
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.
4XEY_A_1N1A601_1
(TYROSINE-PROTEIN
KINASE ABL1)		Dasatinib6 / 12
LEU D 208
VAL D 204
ILE D 200
THR D 199
LEU B 272
ALA B 234
1.76A15.14
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.
3U7S_A_017A202_1
(POL POLYPROTEIN)		Darunavir5 / 9
LEU A 253
ALA C 210
ASP C 216
ILE A 281
LEU A 250
1.50A19.67
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.
2ZZA_B_FOLB164_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 11
ALA A 266
LEU C 205
ILE A 281
LEU A 287
THR A 225
1.65A19.75
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.
4OR0_B_NPSB602_1
(SERUM ALBUMIN)		Naproxen5 / 9
ARG C 222
ALA C 266
ALA C 267
LEU C 262
VAL C 261
1.55A11.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZME_B_ADNB902_1
(MYOSIN HEAVY CHAIN
KINASE A)		Adenosine5 / 10
LEU C 202
GLU A 240
LEU A 242
PHE A 230
THR C 201
1.48A17.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5W97_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
LYS C 269
LEU C 268
LEU A 208
PHE A 219
1.38A19.23
21.59
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.
1DRA_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA A 266
LEU C 205
ILE A 281
LEU A 287
THR A 225
1.55A24.10
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.
5HIE_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib4 / 7
ILE A 259
GLY A 258
PHE A 294
CYH A 265
1.20A19.15
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.
1MMT_A_H4BA1426_1
(PHENYLALANINE-4-HYDR
OXYLASE)		Sapropterin5 / 11
VAL A 296
LEU A 250
LEU A 268
THR A 292
GLU A 240
1.72A15.12
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.
2OK6_H_BEZH2001_0
(AROMATIC AMINE
DEHYDROGENASE, LARGE
SUBUNIT
AROMATIC AMINE
DEHYDROGENASE, SMALL
SUBUNIT)		Benzoic Acid5 / 10
PHE C 223
ASN A 277
GLY A 275
LEU A 271
ASN A 274
1.71A16.62
18.49
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.
1IEP_B_STIB202_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		Imatinib4 / 7
VAL C 212
VAL C 204
ILE A 281
ARG A 222
1.18A17.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZP0_A_DXCA500_0
(MULTIDRUG
TRANSPORTER MDFA)		Deoxycholic Acid5 / 10
TYR D 239
ASN D 238
MET A 276
LEU A 287
GLY D 275
1.51A15.28
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.
3N66_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE)		Mannitol4 / 8
GLN B 273
PHE B 230
ASN B 228
ASP B 229
1.56A15.62
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.
4RGC_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 266
LEU C 205
ILE A 281
LEU A 287
THR A 225
1.56A24.38
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.
1Y7I_B_SALB503_1
(SALICYLIC
ACID-BINDING PROTEIN
2)		Salicylic acid5 / 10
ALA C 267
LEU C 268
TRP A 218
PHE A 223
LEU A 208
1.60A17.53
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.
1Z95_A_198A501_2
(ANDROGEN RECEPTOR)		Bicalutamide5 / 6
LEU C 202
ASN C 203
LEU C 208
LEU A 253
ILE A 281
1.78A18.62
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.
3MS9_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
TYR D 209
ALA D 211
MET B 276
LEU D 220
ALA B 267
1.35A17.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RU9_H_ACTH611_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		Acetic acid4 / 6
TRP B 207
ASN B 214
LEU D 282
PHE B 219
1.51A18.64
20.09
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.
3FPJ_B_SAMB301_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine5 / 12
GLU B 288
ILE B 286
LEU B 268
VAL D 212
ARG B 222
1.63A20.75
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.
4OKX_A_198A1002_2
(ANDROGEN RECEPTOR)		Bicalutamide4 / 6
LEU D 282
ASN B 214
MET D 276
LEU B 208
1.50A18.80
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.
2BXG_A_IBPA2002_1
(SERUM ALBUMIN)		Ibuprofen4 / 8
ALA C 266
GLU A 270
LEU C 272
VAL C 233
1.30A12.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JN8_A_AZMA701_1
(CARBONIC ANHYDRASE 4)		Acetazolamide5 / 10
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.49A16.36
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.
4R7I_A_STIA1001_2
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		Imatinib4 / 5
LEU C 271
VAL A 212
VAL C 261
ARG C 298
1.43A15.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AB2_A_SNLA502_2
(MINERALOCORTICOID
RECEPTOR)		Spironolactone4 / 6
LEU B 271
LEU B 272
LEU D 208
LEU D 220
1.31A17.95
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.
3MNO_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		Betamethasone5 / 12
ASN B 231
VAL D 204
LEU B 268
CYH B 265
THR B 225
1.64A20.72
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.
1RJ6_A_AZMA400_1
(CARBONIC ANHYDRASE
XIV)		Acetazolamide5 / 10
HIS D 246
VAL D 247
LEU D 262
LEU B 205
THR B 201
1.32A19.44
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		GENTAMICIN C1A4 / 7
ASP A 295
GLU A 290
ASP A 289
GLU A 240
1.66A17.31
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		Digoxin3 / 3
LEU C 220
VAL A 261
ARG A 222
1.65A18.39
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.
1D4F_C_ADNC603_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		Adenosine4 / 5
THR B 243
GLU B 240
THR D 199
LEU D 205
1.71A15.98
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.
5VUO_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
GLN B 273
PHE B 230
ASN B 228
ASP B 229
1.60A15.62
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.
5M10_A_NCAA603_0
(CYCLOHEXANONE
MONOOXYGENASE FROM
THERMOCRISPUM
MUNICIPALE)		Nicotinamide4 / 5
LEU B 287
PHE D 219
LEU B 271
TRP D 207
1.58A13.18
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.
5YK2_A_ERYA501_0
(PROBABLE CONSERVED
ATP-BINDING PROTEIN
ABC TRANSPORTER)		Erythromycin5 / 11
GLU C 288
ALA A 210
ALA A 206
ARG C 298
VAL C 297
1.40A13.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G5D_A_1N1A1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Dasatinib6 / 12
LEU A 287
VAL C 204
GLU A 240
ILE C 200
LEU A 272
ALA A 234
1.59A19.72
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		Clotrimazole4 / 6
GLN D 273
ALA D 267
ALA D 266
THR D 225
1.43A15.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDX_C_CHDC308_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT VIIA-HEART)		Cholic Acid4 / 5
ARG B 222
PHE B 230
LEU B 271
PHE D 219
1.80A20.31
21.59
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.
5I9Y_A_1N1A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		Dasatinib5 / 12
GLU C 288
THR A 199
TYR C 237
GLU A 270
LEU C 268
1.61A16.29
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.
1JOL_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		Levoleucovorin5 / 12
ALA A 266
LEU C 205
ILE A 281
LEU A 287
THR A 225
1.61A24.10
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.
3LM8_B_VIBB223_1
(THIAMINE
PYROPHOSPHOKINASE)		Thiamine4 / 7
TYR D 239
LEU D 242
LEU B 205
CYH D 265
1.27A20.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QXS_A_RALA600_2
(ESTROGEN RECEPTOR)		Raloxifene4 / 5
LEU D 272
ASP D 229
MET D 264
LEU B 208
1.68A23.04
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.
1D4Y_A_TPVA501_2
(PROTEIN (HIV-1
PROTEASE))		Tipranavir5 / 8
LEU A 220
ALA C 260
GLY C 251
VAL A 212
ILE C 259
1.52A18.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMC_A_29JA604_1
(TRANSPORTER)		Desvenlafaxine4 / 7
ILE C 281
PHE A 219
LEU C 271
THR A 201
1.34A12.77
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.
3AG3_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 4
ARG B 222
PHE B 230
LEU B 271
PHE D 219
1.69A19.23
21.59
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.
2VDB_A_NPSA1591_1
(SERUM ALBUMIN)		Naproxen4 / 8
ILE B 281
LEU B 287
ARG B 279
GLY B 275
1.44A12.57
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		Ketoconazole6 / 12
PHE D 223
ALA D 266
LEU B 205
VAL D 233
LEU D 272
ALA D 234
1.80A15.67
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.
2FUM_B_MIXB1539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		Mitoxantrone5 / 12
LEU B 282
GLY B 283
ALA D 211
ASN C 238
MET B 276
1.29A17.67
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.
4GKI_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 8
ASP D 289
GLU D 288
ASP A 289
GLU A 288
1.20A17.98
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.
1E7A_A_PFLA4001_1
(SERUM ALBUMIN)		Propofol5 / 9
ILE B 281
ARG B 222
VAL D 212
GLY D 215
ALA D 211
1.59A12.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YHA_H_MZMH303_1
(ALPHA-CARBONIC
ANHYDRASE)		Methazolamide5 / 10
GLU C 240
HIS C 246
VAL C 247
LEU A 205
THR A 201
1.60A18.22
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.
4X5H_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA B 266
LEU D 205
ILE B 281
LEU B 287
THR B 225
1.53A23.93
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.
5KU6_C_MZMC301_1
(CARBONIC ANHYDRASE 4)		Methazolamide5 / 9
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.47A16.36
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.
5HIE_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib4 / 7
ILE A 259
GLY A 258
PHE A 291
PHE A 294
1.32A19.15
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.
4EYR_B_RITB301_1
(HIV-1 PROTEASE)		Ritonavir4 / 7
LEU A 253
ALA C 211
ASP C 216
ILE A 286
1.03A23.31
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.
4FEX_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 7
ASP A 289
ASN C 203
GLU A 240
GLU A 290
1.44A17.98
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.
5HNX_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
ASP A 295
GLU A 290
LEU C 205
LEU A 242
THR A 243
1.64A11.94
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.
3MSS_D_STID1_1
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
TYR D 209
ALA D 211
MET B 276
LEU D 220
ALA B 267
1.35A17.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N23_C_OBNC1_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		Ouabain5 / 11
GLN D 273
LEU B 205
VAL D 261
ALA D 260
ARG B 222
1.41A8.47
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.
5VOP_B_C2FB3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		Levomefolic acid5 / 12
ASN C 238
GLY B 278
VAL D 204
LEU B 268
ILE B 281
1.45A17.79
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.
3EM3_B_478B200_1
(PROTEASE)		Amprenavir6 / 10
LEU C 220
ALA A 260
GLY A 251
LEU A 250
VAL C 212
ILE A 259
1.50A19.84
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.
2W9G_A_TOPA1159_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 10
LEU A 242
LEU C 205
VAL A 261
ILE A 249
THR A 225
1.39A23.08
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.
5M78_A_SALA304_1
(CARBONIC ANHYDRASE 2)		Salicylic acid5 / 7
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.51A19.15
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.
6G31_A_ZOLA401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		Zoledronic acid4 / 7
ARG B 222
GLN B 273
GLN D 273
LYS C 236
1.50A17.43
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.
6B8K_A_W9TA300_0
(GALECTIN-3)		Lactulose4 / 7
ARG B 222
ASN D 274
GLU D 270
ARG D 222
1.75A19.44
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.
3BGD_A_PM6A302_1
(THIOPURINE
S-METHYLTRANSFERASE)		Mercaptopurine4 / 6
HIS C 246
PHE C 230
LEU A 202
LEU A 205
1.46A16.67
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.
5JNC_A_6LHA302_0
(CARBONIC ANHYDRASE 4)		Mafenide5 / 11
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.48A16.36
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.
4C9O_A_CAMA423_0
(CYTOCHROME P450)		Camphor5 / 12
ILE C 213
THR A 257
LEU A 250
GLY A 251
VAL A 297
1.29A14.63
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.
4C8B_A_0LIA1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		Ponatinib5 / 12
GLU A 240
ILE C 200
LEU A 272
ALA A 234
PHE A 230
1.44A17.54
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.
3ADS_B_IMNB3_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin5 / 12
ILE B 286
LEU C 268
LEU A 205
VAL A 204
ILE A 200
1.23A17.09
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.
2BXE_B_1FLB2003_1
(SERUM ALBUMIN)		Diflunisal5 / 10
PHE A 219
LEU C 268
LEU C 287
ILE C 281
ALA A 206
1.57A12.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		Ampicillin5 / 11
GLU A 240
LEU A 242
ASN A 231
LEU A 268
LEU C 202
1.38A19.06
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.
5CR1_A_T44A201_1
(TRANSTHYRETIN)		Levothyroxine4 / 5
LEU B 202
ALA B 206
LEU B 205
VAL D 297
1.37A20.90
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.
5KBW_B_RBFB201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin5 / 12
GLU C 270
GLY A 275
ASN A 277
ALA D 234
TYR A 237
1.68A22.70
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.
4J4V_C_SVRC301_1
(NUCLEOCAPSID PROTEIN)		Suramin4 / 8
GLY C 215
ASN C 214
PHE C 219
ILE A 281
1.18A20.24
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.
2GQG_B_1N1B502_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Dasatinib6 / 12
LEU A 287
VAL C 204
GLU A 240
ILE C 200
LEU A 272
ALA A 234
1.61A17.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QYN_B_RTLB201_0
(RETINOL-BINDING
PROTEIN 2)		Vitamin A5 / 12
ILE A 259
THR A 225
ARG A 222
LEU A 242
LEU C 205
1.37A20.59
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.
3EL1_A_DR7A100_1
(PROTEASE)		Atazanavir5 / 11
ARG A 279
ASP C 216
GLY C 215
ALA C 211
ILE A 281
1.39A19.05
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.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA A 266
LEU C 205
ILE A 281
LEU A 287
THR A 225
1.63A23.31
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.
2Y7J_A_B49A1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		Sunitinib5 / 12
ILE A 281
MET A 276
GLY A 275
GLU A 270
LEU A 271
1.47A15.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKP_B_478B200_1
(PROTEASE)		Amprenavir5 / 8
ASP A 216
GLY A 215
ALA A 211
ILE C 259
ILE C 281
1.47A20.16
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.
1ZGF_A_TRUA300_1
(CARBONIC ANHYDRASE
II)		Trichlormethiazide5 / 12
ASN D 231
HIS D 246
VAL D 247
LEU B 205
THR B 201
1.50A19.15
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.
6FNM_A_1N1A1001_1
(-)		Dasatinib5 / 12
ILE A 281
GLU A 240
ILE C 200
THR C 199
LEU A 272
1.65A16.99
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.
5JSD_B_1GNB603_1
(PHIAB6 TAILSPIKE)		Glucosamine3 / 3
VAL C 296
GLU C 290
GLU C 288
1.48A10.05
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.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		Vemurafenib5 / 12
ILE A 259
ILE C 213
THR A 257
ALA A 260
GLY C 215
1.36A16.78
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.
1JOM_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		Levoleucovorin5 / 11
ALA A 266
LEU C 205
ILE A 281
LEU A 287
THR A 225
1.48A24.10
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.
5M50_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
GLU C 270
LEU C 205
THR C 201
GLY A 275
LEU A 272
1.44A11.27
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.
4C9L_A_CAMA1419_0
(CYTOCHROME P450)		Camphor5 / 12
ILE C 213
THR A 257
LEU A 250
GLY A 251
VAL A 297
1.24A14.63
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.
5ND7_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
ASP C 289
GLU C 240
ALA C 234
PHE C 230
LEU A 205
1.56A11.94
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.
5JNA_A_TORA302_1
(CARBONIC ANHYDRASE 4)		Topiramate5 / 12
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.50A16.36
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.
6F6I_A_8PRA509_1
(ENVELOPE
GLYCOPROTEIN,GP,GP1
ENVELOPE
GLYCOPROTEIN)		Paroxetine6 / 12
VAL A 204
LEU C 287
LEU C 242
LEU C 272
THR A 198
LEU C 268
1.62A15.50
22.98
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.
1ETB_2_T442129_1
(TRANSTHYRETIN)		Levothyroxine4 / 6
GLU A 290
THR A 292
ALA C 206
LEU C 208
1.38A20.71
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.
5LVN_A_ADNA402_1
(3-PHOSPHOINOSITIDE-D
EPENDENT PROTEIN
KINASE 1)		Adenosine6 / 11
LEU A 208
VAL C 296
LEU C 253
ALA A 210
GLU C 288
GLU C 290
1.74A18.75
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.
6HD4_A_STIA604_0
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
VAL C 204
GLU A 240
ILE C 200
LEU A 272
ALA A 234
1.31A17.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD5_A_CHDA702_0
(FERROCHELATASE)		Cholic Acid3 / 3
LEU C 253
PRO C 252
ARG C 298
0.89A17.09
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.
4IOM_A_FOLA608_0
(FORMATE--TETRAHYDROF
OLATE LIGASE)		Folic Acid4 / 7
ALA C 206
GLU A 240
LEU C 202
LEU A 250
1.45A12.00
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.
4EQ4_A_SALA601_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		Salicylic acid4 / 7
THR C 199
ILE D 286
THR D 280
GLY D 278
1.07A11.80
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.
4PO0_A_NPSA602_1
(SERUM ALBUMIN)		Naproxen4 / 8
ALA A 206
LEU A 205
LEU C 250
GLU C 240
1.28A11.11
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.
2NYR_B_SVRB401_2
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		Suramin4 / 6
PHE C 219
ARG A 279
ASN A 274
LEU D 268
1.26A16.85
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.
2NMY_A_ROCA401_1
(PROTEASE)		Saquinavir5 / 12
ARG A 279
ASP C 216
GLY C 215
ALA C 211
ILE A 281
1.36A18.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM4_A_DR7A100_2
(PROTEASE)		Atazanavir5 / 9
ALA A 260
GLY A 251
LEU A 250
VAL C 212
ILE A 259
1.45A19.84
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		Atenolol4 / 5
LEU A 262
ILE A 259
SER A 254
GLY A 251
1.48A19.55
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.
2HYY_D_STID600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
VAL C 204
GLU A 240
ILE C 200
LEU A 272
ALA A 234
1.42A17.34
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.
3OKX_A_SAMA201_0
(YAEB-LIKE PROTEIN
RPA0152)		S-Adenosylmethionine5 / 12
LEU B 242
CYH B 265
GLY B 251
SER B 254
LEU B 227
1.58A22.40
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.
6AWV_A_BEZA202_0
(ARA H 8 ALLERGEN)		Benzoic Acid4 / 4
PHE B 230
ASP B 229
LEU B 268
LYS B 269
1.76A21.66
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.
4WA9_A_AXIA9000_1
(TYROSINE-PROTEIN
KINASE ABL1)		Axitinib5 / 11
MET A 264
ASN C 203
LEU C 205
ALA C 206
PHE A 294
1.33A17.28
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.
5XXI_A_LSNA501_2
(CYTOCHROME P450 2C9)		Losartan4 / 4
PHE C 230
LEU C 253
LEU A 202
VAL C 261
1.70A13.26
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.
5X23_A_LSNA502_2
(CYTOCHROME P450 2C9)		Losartan3 / 3
LEU D 272
VAL B 204
ASP D 289
1.13A13.01
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.
5UXD_A_ZITA501_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E MPHH)		Azithromycin4 / 7
GLU D 270
PHE B 223
TYR A 237
TYR D 237
1.31A22.36
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.
3H52_C_486C4_1
(GLUCOCORTICOID
RECEPTOR)		Mifepristone5 / 12
LEU B 282
GLY D 215
LEU D 220
PHE D 219
MET B 264
1.62A19.50
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.
4ZF8_A_MYTA502_1
(BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE)		Metyrapone5 / 6
LEU C 220
ILE A 259
ALA A 260
THR A 224
ALA A 266
1.77A14.22
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.
4QZU_D_ACTD202_0
(RETINOL-BINDING
PROTEIN 2)		Acetic acid4 / 5
ASP A 289
VAL C 204
TRP C 207
GLU A 288
1.64A20.59
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.
1TBF_A_VIAA501_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Sildenafil5 / 9
LEU C 272
ALA A 206
LEU A 208
MET C 264
PHE C 230
1.56A17.87
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.
4K0S_A_AZMA302_1
(CARBONIC ANHYDRASE 2)		Acetazolamide5 / 11
VAL B 261
LEU B 253
VAL B 247
LEU D 202
THR D 201
1.55A18.29
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.
4EB6_C_VLBC503_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA CHAIN)		Vinblastine5 / 12
VAL C 204
PRO A 293
ILE A 259
VAL C 212
ILE C 213
1.22A12.65
12.56
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.
4ZJL_D_ERYD1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		Erythromycin5 / 12
ASN D 274
LEU D 205
GLU D 270
GLU B 270
MET B 264
1.73A9.52
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.
6BER_A_DVAA2_0
(E(DVA)DP(DGL)(DHI)(D
PR)N(DAL)(DPR))		L-Valine3 / 3
GLU D 288
ASP D 295
PRO D 293
1.04A11.11
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.
4X1F_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		Ethinyl Estradiol5 / 12
LEU D 268
LEU B 205
SER D 254
ARG D 222
LEU D 262
1.54A17.39
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.
5YBB_A_SAMA601_0
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)		S-Adenosylmethionine5 / 12
ALA A 234
GLY D 275
THR C 201
LEU A 242
PHE A 230
1.38A16.29
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.
4A9K_A_TYLA2200_1
(CREB-BINDING PROTEIN)		Acetaminophen4 / 6
VAL C 212
LEU C 220
ILE A 259
TYR C 209
1.27A18.75
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.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		Levomefolic acid5 / 12
HIS C 246
ILE C 249
LEU C 253
GLY C 251
VAL C 297
1.51A18.36
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.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		Pemetrexed5 / 12
HIS C 246
ILE C 249
LEU C 253
GLY C 251
VAL C 297
1.46A21.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JN9_C_EZLC302_1
(CARBONIC ANHYDRASE 4)		Ethoxzolamide5 / 9
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.55A16.36
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.
4YGF_E_AZME303_1
(ALPHA-CARBONIC
ANHYDRASE)		Acetazolamide5 / 12
GLU C 240
HIS C 246
VAL C 247
LEU A 205
THR A 201
1.58A18.22
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.
3TNE_B_RITB401_2
(SECRETED ASPARTIC
PROTEASE)		Ritonavir4 / 7
TYR C 209
VAL C 212
ILE A 259
TYR A 239
1.04A17.57
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.
3NUO_B_478B478_2
(PROTEASE)		Amprenavir5 / 9
ASP C 216
GLY C 215
ALA C 211
ILE A 259
ILE A 281
1.50A18.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JD0_A_AZMA1400_1
(CARBONIC ANHYDRASE
XII)		Acetazolamide5 / 9
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.55A17.29
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.
1SN5_C_T3C601_1
(TRANSTHYRETIN)		Liothyronine4 / 6
LEU B 202
ALA B 206
LEU B 205
VAL D 297
1.33A22.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YBB_A_SAMA601_1
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)		S-Adenosylmethionine4 / 5
PHE A 223
THR A 225
GLU A 270
ASN A 277
1.78A16.29
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.
5TE8_B_08JB602_1
(CYTOCHROME P450 3A4)		Midazolam5 / 8
LEU D 205
THR B 257
ILE D 213
ALA D 210
LEU B 253
1.38A16.15
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.
4BKJ_B_STIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Imatinib5 / 12
VAL C 296
GLU C 288
ILE C 286
LEU A 205
ASP C 289
1.40A17.23
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.
4G7A_A_AZMA302_1
(CARBONATE
DEHYDRATASE)		Acetazolamide5 / 11
GLU A 240
HIS A 246
VAL A 247
LEU C 205
THR C 201
1.58A18.55
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.
3OEZ_B_STIB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Imatinib5 / 12
VAL B 212
ALA B 211
VAL D 247
ALA D 267
ASP D 263
1.49A19.72
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.
5JNA_C_TORC302_1
(CARBONIC ANHYDRASE 4)		Topiramate5 / 11
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.49A16.36
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.
1ERR_B_RALB600_2
(ESTROGEN RECEPTOR)		Raloxifene4 / 6
LEU D 272
ASP D 229
MET D 264
LEU B 208
1.68A23.50
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.
4ZME_A_ADNA1002_1
(MYOSIN HEAVY CHAIN
KINASE A)		Adenosine5 / 11
LEU C 202
GLU A 240
LEU A 242
PHE A 230
THR C 201
1.48A17.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NPN_A_SAMA4633_0
(PUTATIVE COBALAMIN
SYNTHESIS RELATED
PROTEIN)		S-Adenosylmethionine5 / 9
GLY C 278
TYR B 239
THR C 285
LEU B 272
LEU C 271
1.54A18.88
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.
5O96_C_SAMC501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 7
LEU D 253
SER D 254
LEU B 205
THR D 292
ALA B 206
1.37A17.15
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.
5T8H_B_478B401_3
(PROTEASE)		Amprenavir3 / 3
ASP A 263
LEU C 205
ILE C 213
0.72A18.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YU9_D_1E8D1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Ibrutinib5 / 12
VAL A 261
ASP A 245
LEU A 242
THR C 201
LEU C 208
1.66A15.50
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.
5IGJ_A_CTYA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		Clarithromycin5 / 12
ILE C 249
VAL C 297
GLU C 290
ALA A 211
ALA A 210
1.37A16.89
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.
1MZ9_D_VDYD1001_1
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol3 / 3
LEU B 205
THR B 201
LEU A 287
0.78A18.75
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.
5Y1Y_A_HNQA201_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		Nitroxoline4 / 8
PRO D 293
VAL D 297
LEU D 253
ILE D 249
1.21A18.32
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.
3EBZ_B_017B201_2
(PROTEASE)		Darunavir5 / 11
LEU A 220
GLY A 215
ALA A 211
VAL C 296
ILE C 259
1.26A20.97
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.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 12
PHE A 219
GLU C 270
ASN C 221
ASP A 263
PHE A 223
1.53A19.12
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.
5N5D_B_SAMB303_0
(METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 271
ALA A 267
ILE C 200
GLU A 288
PHE A 230
1.49A20.37
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.
2ZZM_A_SAMA401_1
(UNCHARACTERIZED
PROTEIN MJ0883)		S-Adenosylmethionine3 / 3
ARG D 222
ASP B 263
ASN B 221
1.29A15.06
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.
4NKV_C_AERC601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Abiraterone4 / 6
LEU A 208
GLU C 270
VAL C 233
ALA C 234
1.31A12.60
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.
5KM9_B_ADNB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		Adenosine5 / 12
ILE B 281
LEU B 287
ALA B 266
LEU D 220
SER B 254
1.35A21.48
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.
4IK6_B_LURB201_1
(TRANSTHYRETIN)		Lumiracoxib4 / 8
LEU A 202
ALA A 206
LEU A 205
VAL C 297
1.27A19.85
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.
3J6P_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
GLU C 270
LEU C 205
THR C 201
GLY A 275
LEU A 272
1.55A11.94
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.
3AG3_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 5
ARG B 222
PHE B 230
LEU B 271
PHE D 219
1.70A19.23
21.59
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.
1TYL_C_TYLC100_1
(INSULIN)		Acetaminophen4 / 5
CYH B 265
ILE B 259
LEU D 205
ALA D 206
1.74A20.45
25.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKY_A_DR7A100_1
(PROTEASE)		Atazanavir5 / 10
ARG B 279
ASP D 216
GLY D 215
ALA D 211
ILE B 281
1.44A19.67
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.
3MNP_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		Betamethasone5 / 12
ASN B 231
VAL D 204
LEU B 268
CYH B 265
THR B 225
1.67A20.27
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.
5AXA_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
GLU D 240
THR D 243
THR D 225
LEU D 232
1.76A14.25
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.
1RX8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 266
LEU C 205
ILE A 281
LEU A 287
THR A 225
1.42A24.10
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.
1MX1_D_THAD4_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 12
LEU D 271
GLY D 275
LEU A 272
ILE D 286
LEU D 287
1.13A11.62
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.
5IY5_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
ARG B 222
PHE B 230
LEU B 271
PHE D 219
1.79A20.31
23.60
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.
4QLF_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 11
ALA A 266
LEU C 205
ILE A 281
LEU A 287
THR A 225
1.57A23.12
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.
6AY6_A_VORA501_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		Voriconazole5 / 9
TYR C 209
ALA A 266
THR A 225
LEU A 262
LEU A 242
1.59A15.75
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.
2FB2_B_SAMB501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		S-Adenosylmethionine4 / 7
TYR B 239
THR A 199
GLU C 288
VAL D 204
1.28A15.97
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.
3K5V_A_STIA2_1
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
TYR D 209
ALA D 211
MET B 276
LEU D 220
ALA B 267
1.35A17.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IFG_A_1E8A601_1
(CALMODULIN-DOMAIN
PROTEIN KINASE 1)		Ibrutinib6 / 12
GLY D 215
MET B 264
LEU B 250
LEU B 253
LEU D 220
ILE B 259
1.52A14.06
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.
1MZ9_D_VDYD1001_5
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol3 / 3
THR D 226
LEU D 227
VAL D 247
0.97A18.75
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.
5DQF_A_CZEA613_1
(SERUM ALBUMIN)		Cetirizine5 / 9
ALA A 206
ASP C 289
LEU A 205
LEU C 250
GLU C 240
1.28A12.70
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.
4QI9_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA B 266
LEU D 205
ILE B 281
LEU B 287
THR B 225
1.61A23.70
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.
2JN3_A_JN3A130_2
(FATTY ACID-BINDING
PROTEIN, LIVER)		Ursodeoxycholic acid4 / 7
LEU B 268
LEU D 208
ARG D 217
GLU D 270
1.45A23.62
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.
1IEP_A_STIA201_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		Imatinib4 / 6
VAL C 212
VAL C 204
ILE A 281
ARG A 222
1.15A17.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2U_A_ETSA302_1
(CARBONIC ANHYDRASE 2)		Dorzolamide5 / 12
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.60A19.15
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.
1DDR_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA A 266
LEU C 205
ILE A 281
LEU A 287
THR A 225
1.57A24.38
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.
1MZ9_D_VDYD1001_4
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol4 / 4
THR C 226
LEU C 262
VAL C 247
LEU C 250
1.50A18.75
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.
3UQ6_B_ADNB401_1
(ADENOSINE KINASE,
PUTATIVE)		Adenosine6 / 12
ILE B 281
LEU D 208
GLY B 275
ASN B 277
LEU B 268
GLY B 278
1.52A14.79
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.
4G1B_B_ECNB403_1
(FLAVOHEMOGLOBIN)		Econazole5 / 11
ILE B 249
LEU D 202
THR D 201
LEU B 250
TYR D 209
1.50A14.14
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.
4KCN_B_MTLB806_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 7
GLN B 273
PHE B 230
ASN B 228
ASP B 229
1.53A15.62
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.
4RVJ_B_478B101_2
(HIV-1 PROTEASE)		Amprenavir5 / 9
ASP C 216
GLY C 215
ALA C 211
ILE A 259
ILE A 281
1.50A20.69
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.
3FWI_A_CAMA420_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 7
THR C 201
LEU C 205
THR A 225
VAL A 233
1.34A15.06
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.
3TBG_C_RTZC2_1
(CYTOCHROME P450 2D6)		Thioridazine5 / 10
THR C 225
LEU C 227
THR C 243
VAL C 247
VAL A 204
1.59A15.09
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.
3VAQ_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		Adenosine6 / 12
ILE B 281
LEU D 208
GLY B 275
ASN B 277
LEU B 268
GLY B 278
1.49A15.34
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.
1ZGY_A_BRLA503_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone4 / 5
ILE D 281
ILE B 200
ILE D 286
LEU D 250
1.31A16.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWI_B_115B1_1
(HMG-COA REDUCTASE)		Fluvastatin5 / 9
CYH B 265
HIS B 246
LEU D 202
ALA D 206
LEU B 253
1.65A13.57
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.
4DO3_B_0LAB602_1
(FATTY-ACID AMIDE
HYDROLASE 1)		Carprofen4 / 6
LEU B 268
LEU B 287
ILE B 286
THR D 199
0.99A10.72
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.
5L2I_A_LQQA900_1
(CYCLIN-DEPENDENT
KINASE 6)		Palbociclib5 / 12
ILE B 200
VAL D 296
PHE D 291
THR D 243
ALA B 206
1.40A19.29
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.
3TTP_A_017A201_1
(HIV-1 PROTEASE)		Darunavir5 / 10
ASP A 216
GLY A 215
ALA A 211
ILE C 259
ILE C 281
1.53A25.21
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.
3J6G_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 10
VAL B 212
ASP B 216
LEU D 250
THR B 201
LEU D 268
1.57A11.27
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.
4EJJ_D_NCTD501_1
(CYTOCHROME P450 2A6)		Nicotine5 / 7
PHE A 223
ASN C 277
GLY C 278
ILE C 281
LEU C 271
1.78A13.07
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.
1YDD_A_AZMA264_1
(CARBONIC ANHYDRASE
II)		Acetazolamide5 / 10
GLN A 244
VAL A 247
VAL A 261
THR A 225
THR A 226
1.67A20.00
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.
2A1N_B_CAMB2422_0
(CYTOCHROME P450-CAM)		Camphor5 / 9
THR B 225
THR B 243
LEU B 262
VAL B 247
THR D 201
1.64A14.68
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.
6FGC_A_ACTA813_0
(GEPHYRIN)		Acetic acid3 / 3
THR B 201
ALA D 234
LYS D 236
1.46A13.97
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.
4BKJ_A_STIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Imatinib5 / 12
VAL C 296
GLU C 288
ILE C 286
LEU A 205
ASP C 289
1.41A17.23
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.
4FEU_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 7
ASP C 289
ASN A 203
GLU C 240
GLU C 290
1.29A17.98
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.
3H52_A_486A3_1
(GLUCOCORTICOID
RECEPTOR)		Mifepristone5 / 12
LEU D 282
VAL B 204
MET D 264
LEU B 220
MET D 276
1.53A19.50
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.
4W5N_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
LEU A 250
ILE A 249
LEU C 202
GLU A 240
1.24A9.55
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.
1FM6_D_BRLD503_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone4 / 4
ILE B 286
LEU C 268
VAL A 204
ILE A 200
1.26A16.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ASD_A_BAXA1500_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Sorafenib4 / 6
ILE A 259
VAL A 261
LEU A 227
CYH A 265
1.52A15.06
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.
5C8I_A_MZMA302_1
(CARBONIC ANHYDRASE 2)		Methazolamide5 / 12
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.63A19.15
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.
5G48_B_1FLB1375_1
(DNA POLYMERASE III
SUBUNIT BETA)		Diflunisal5 / 9
THR C 292
LEU A 202
ILE C 249
PRO C 252
LEU C 250
1.76A15.28
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.
1ZZU_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
GLN B 273
PHE B 230
ASN B 228
ASP B 229
1.51A14.68
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.
1TDR_B_MTXB170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 10
ALA A 266
LEU C 205
ILE A 281
LEU A 287
THR A 225
1.61A24.10
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.
4OK1_A_198A1001_1
(ANDROGEN RECEPTOR)		Bicalutamide5 / 12
LEU A 250
VAL A 297
THR A 257
MET A 264
ILE A 259
1.42A18.80
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.
4XLI_A_1N1A601_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)		Dasatinib6 / 12
LEU C 250
VAL A 212
THR C 257
MET C 264
LEU A 208
ALA A 211
1.80A17.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_C_SAMC401_1
(MNMC2)		S-Adenosylmethionine4 / 6
GLY C 258
ASP A 216
ASP C 263
ASN A 221
1.31A19.34
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.
1IEP_A_STIA201_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		Imatinib5 / 12
TYR D 209
ALA D 211
MET B 276
LEU D 220
ALA B 267
1.36A17.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V0V_A_8QSA614_1
(SERUM ALBUMIN)		Etodolac5 / 8
ALA C 206
LEU A 268
LEU C 208
ALA A 267
ALA C 211
1.50A12.26
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.
1I18_A_RBFA98_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		Riboflavin5 / 10
LEU A 272
LEU A 268
THR C 201
ILE C 200
THR C 199
1.55A20.00
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.
4X1I_B_LOCB502_2
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU B 250
THR D 201
ALA D 206
VAL B 296
ALA D 210
1.53A11.94
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.
3U5K_A_08JA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		Midazolam4 / 8
PRO D 293
VAL D 297
LEU D 253
ILE D 249
1.12A18.05
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.
1HK2_A_T44A3004_1
(SERUM ALBUMIN)		Levothyroxine4 / 7
ALA C 267
GLU C 270
LEU C 268
VAL A 204
0.96A12.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UHB_C_RFPC1201_2
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Rifampicin3 / 3
PHE D 223
ASP D 263
LEU D 272
0.91A7.96
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.
3UUD_A_ESTA600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU A 227
GLU A 240
LEU C 202
LEU C 205
GLY A 251
1.68A24.00
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.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		Levomefolic acid5 / 12
HIS C 246
ILE C 249
LEU C 253
GLY C 251
VAL C 297
1.39A18.36
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.
3GVU_A_STIA1001_1
(TYROSINE-PROTEIN
KINASE ABL2)		Imatinib5 / 12
TYR D 209
ALA D 211
MET B 276
LEU D 220
ALA B 267
1.38A17.36
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.
1XDK_B_9CRB600_1
(RETINOIC ACID
RECEPTOR, BETA)		Alitretinoin5 / 12
PHE A 230
ALA A 234
LEU A 287
LEU A 272
LEU C 208
1.20A17.25
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.
5UHC_C_RFPC1201_2
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Rifampicin3 / 3
PHE D 223
ASP D 263
LEU D 272
0.91A7.96
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.
4DQF_B_017B101_2
(ASPARTYL PROTEASE)		Darunavir5 / 10
GLY D 215
GLY B 258
ILE B 259
VAL B 296
ILE D 213
1.39A17.36
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.
2FB2_A_SAMA501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		S-Adenosylmethionine4 / 8
TYR B 239
THR A 199
GLU C 288
VAL D 204
1.17A15.97
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.
2EIJ_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
LYS D 269
LEU D 268
LEU B 208
PHE B 219
1.37A19.23
21.59
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.
6FGD_A_ACTA817_0
(GEPHYRIN)		Acetic acid3 / 3
THR B 201
ALA D 234
LYS D 236
1.43A13.97
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.
3NU4_B_478B401_2
(PROTEASE)		Amprenavir5 / 9
ASP C 216
GLY C 215
ALA C 211
ILE A 259
ILE A 281
1.47A18.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G48_A_1FLA1375_1
(DNA POLYMERASE III
SUBUNIT BETA)		Diflunisal5 / 8
THR D 292
LEU B 202
ILE D 249
PRO D 252
LEU D 250
1.69A15.28
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.
1JD0_B_AZMB2401_1
(CARBONIC ANHYDRASE
XII)		Acetazolamide5 / 11
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.54A17.29
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.
2Y69_C_CHDC1265_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 5
ARG B 222
PHE B 230
LEU B 271
PHE D 219
1.63A19.23
21.19
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.
5DQF_A_LCRA612_1
(SERUM ALBUMIN)		Cetirizine5 / 9
LEU C 253
GLY C 251
LEU C 250
LEU A 202
ALA A 206
1.42A12.70
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.
6B0L_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL B 212
ASP B 216
LEU B 202
LEU D 250
THR B 201
1.41A12.65
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.
1SDU_B_MK1B902_1
(PROTEASE RETROPEPSIN)		Indinavir6 / 11
LEU C 220
ASP A 263
ALA A 260
GLY A 251
VAL C 212
ILE A 259
1.74A18.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G72_A_SAMA2001_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
THR C 224
LEU C 271
ASP A 216
VAL A 212
ALA C 260
1.26A17.99
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.
5Z86_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ARG B 222
PHE B 230
LEU B 271
PHE D 219
1.65A19.23
21.59
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.
5M66_C_ADNC502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
THR B 225
GLU B 270
LEU D 208
0.87A12.94
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.
2HYY_A_STIA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 6
VAL C 212
VAL C 204
ILE A 281
ARG A 222
1.15A17.34
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.
5ND3_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL C 296
ASP C 295
LEU C 268
LEU A 208
ALA A 210
1.37A11.94
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.
1FBM_B_RTLB951_1
(PROTEIN (CARTILAGE
OLIGOMERIC MATRIX
PROTEIN))		Vitamin A4 / 4
THR C 226
LEU C 262
VAL C 247
LEU C 250
1.48A19.30
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.
2QXS_A_RALA600_1
(ESTROGEN RECEPTOR)		Raloxifene5 / 12
THR C 292
ALA A 206
LEU C 253
LEU C 250
LEU C 242
1.59A23.04
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.
4UOV_A_AZMA299_1
(CARBONATE
DEHYDRATASE)		Acetazolamide5 / 11
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.53A18.07
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.
3A51_D_VDYD6178_1
(VITAMIN D
HYDROXYLASE)		Calcidiol5 / 12
ILE D 249
LEU B 202
VAL D 297
PRO D 252
LEU D 253
1.46A17.38
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.
4N09_B_ADNB401_2
(ADENOSINE KINASE)		Adenosine4 / 5
LEU A 208
LEU C 282
LEU C 271
ASN A 214
1.16A19.39
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.
3DCS_A_MZMA263_1
(CARBONIC ANHYDRASE 2)		Methazolamide5 / 10
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.52A18.08
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.
3CJT_C_SAMC302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU B 242
LEU B 272
ASP B 263
LEU D 205
LEU B 250
1.48A17.72
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.
1AFS_A_TESA325_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		Testosterone4 / 7
LEU A 272
TYR A 237
THR A 225
ASN C 274
1.30A15.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CB8_A_SAMA501_0
(PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME)		S-Adenosylmethionine5 / 12
TYR A 237
GLU B 270
ASP B 229
VAL A 233
TYR A 239
1.68A17.27
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.
4G0C_A_AZMA302_1
(CARBONIC ANHYDRASE 2)		Acetazolamide5 / 11
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.59A19.15
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		Clotrimazole6 / 12
LEU C 205
LEU C 220
ILE A 259
ALA A 260
THR A 224
ALA A 267
1.53A15.50
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.
5ZCO_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ARG B 222
PHE B 230
LEU B 271
PHE D 219
1.57A19.23
21.59
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.
3V2J_A_AZMA302_1
(CARBONIC ANHYDRASE 2)		Acetazolamide5 / 11
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.59A19.15
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.
5HJI_A_ADNA401_1
(TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A)		Adenosine5 / 11
GLU A 240
ILE C 200
ASP A 289
VAL C 204
PRO A 293
1.64A16.37
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.
1GWR_A_ESTA600_1
(OESTROGEN RECEPTOR)		Estradiol5 / 10
LEU D 208
LEU B 271
LEU D 220
ARG B 222
LEU B 282
1.70A24.00
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.
3TGV_B_BEZB160_0
(HEME-BINDING PROTEIN
HUTZ)		Benzoic Acid4 / 4
LEU C 271
GLY C 275
LEU C 272
GLU C 270
1.73A24.43
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.
3CLD_B_GW6B2_2
(GLUCOCORTICOID
RECEPTOR)		Fluticasone furoate4 / 8
LEU C 287
ALA A 206
LEU A 208
ILE B 286
1.11A19.09
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.
3MS9_A_STIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 6
VAL C 212
VAL C 204
ILE A 281
ARG A 222
1.39A17.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XI3_A_29SA601_1
(ESTROGEN RECEPTOR)		Bazedoxifene5 / 12
THR C 292
ALA A 206
LEU C 253
LEU C 268
PRO C 252
1.71A24.00
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.
2ZZA_A_FOLA164_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 266
LEU C 205
ILE A 281
LEU A 287
THR A 225
1.63A19.75
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.
5OY0_2_PQN2843_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		Phylloquinone5 / 12
ILE D 286
PHE D 230
ARG D 222
ALA D 267
LEU D 268
1.78A10.53
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.
3MB5_A_SAMA301_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine6 / 12
VAL B 233
GLY C 275
LEU B 272
ILE C 281
ARG C 279
ILE C 286
1.76A15.60
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.
4OKW_A_198A1001_2
(ANDROGEN RECEPTOR)		Bicalutamide4 / 7
LEU A 220
MET C 276
LEU C 268
ILE C 259
1.28A18.80
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.
4LNW_A_T3A502_1
(THYROID HORMONE
RECEPTOR ALPHA)		Liothyronine4 / 8
ASP B 229
GLU B 270
GLN B 273
VAL A 233
1.25A19.23
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.
5UMD_K_YMZK301_1
(60S RIBOSOMAL
PROTEIN L13,
PUTATIVE)		Mefloquine5 / 11
ILE B 286
LYS A 198
TYR C 239
GLU C 240
LEU A 202
1.69A20.31
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.
1S9P_B_DESB459_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		Diethylstilbestrol6 / 12
LEU C 262
ALA C 267
LEU A 208
VAL A 212
LEU C 250
PHE C 230
1.65A20.19
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.
5LJB_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		Vitamin A4 / 8
LEU B 271
LEU D 205
ILE C 286
THR D 199
1.36A20.98
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.
3MSS_A_STIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 6
VAL C 212
VAL C 204
ILE A 281
ARG A 222
1.39A17.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MUI_B_AB1B100_1
(PROTEASE)		Lopinavir5 / 10
ASP C 216
GLY C 215
ALA C 211
ILE A 259
ILE A 281
1.54A19.67
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.
5WY0_A_SAMA800_0
(SMALL RNA
2'-O-METHYLTRANSFERA
SE)		S-Adenosylmethionine5 / 12
ASN D 238
VAL B 204
ILE D 286
LEU D 287
LEU D 268
1.49A19.30
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.
3EM4_A_DR7A100_1
(PROTEASE)		Atazanavir5 / 11
ARG A 279
ASP C 216
GLY C 215
ALA C 211
ILE A 281
1.42A19.84
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.
3NRR_A_D16A520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Raltitrexed5 / 12
PHE A 230
LEU A 242
ILE A 249
LEU C 205
THR A 226
1.51A12.77
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.
4WW7_A_ACTA305_0
(EKC/KEOPS COMPLEX
SUBUNIT BUD32)		Acetic acid4 / 6
LEU C 205
LEU C 202
ASN C 203
ILE C 200
1.54A18.63
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.
5XDQ_C_CHDC308_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
ARG B 222
PHE B 230
LEU B 271
PHE D 219
1.62A19.23
21.59
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.
3WSJ_A_MK1A201_2
(PROTEASE)		Indinavir4 / 7
ARG A 279
ASP C 216
ALA C 211
ILE A 281
1.35A23.36
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.
3LP9_D_SPMD230_1
(LS-24)		Spermine3 / 3
GLU A 240
GLU A 290
ASN C 203
1.06A20.80
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.
6HD6_A_STIA603_0
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
VAL C 204
GLU A 240
ILE C 200
LEU A 272
ALA A 234
1.29A17.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGV_A_ZITA404_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		Azithromycin4 / 4
ASN B 238
ILE B 286
TYR C 239
PHE C 291
1.50A17.85
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.
3IHT_A_SAMA200_0
(S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 275
ASN A 277
ARG A 279
LEU A 268
PHE A 230
1.23A24.10
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.
3VAQ_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		Adenosine6 / 12
ILE B 281
LEU D 208
GLY B 275
ASN B 277
LEU B 268
GLY B 278
1.53A15.34
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.
4UAC_A_ACRA501_2
(CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-))		Acarbose4 / 7
GLU C 290
GLU B 288
TRP D 218
ASP D 216
1.63A14.48
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.
3ADX_B_IMNB3_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin6 / 12
LEU A 242
GLY A 275
ALA A 266
LEU C 208
LEU C 205
VAL C 204
1.57A17.09
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.
1HZE_A_RBFA98_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		Riboflavin5 / 9
LEU A 272
LEU A 268
THR C 201
ILE C 200
ILE D 286
1.52A20.00
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.
1MX1_E_THAE5_2
(LIVER
CARBOXYLESTERASE I)		Tacrine3 / 3
PHE B 219
LEU B 208
LEU D 287
0.91A11.62
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.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		Cefoxitin5 / 12
ASN D 274
ASN B 274
GLU B 270
THR D 225
ALA D 267
1.60A17.99
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.
6BQ4_A_ADNA401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		Adenosine6 / 12
ILE A 281
ASP C 216
VAL C 212
LEU A 268
ALA A 267
LEU A 272
1.67A17.57
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.
2OPX_A_DXCA1003_0
(ALDEHYDE
DEHYDROGENASE A)		Deoxycholic Acid4 / 5
ILE A 286
LEU A 287
ASP C 216
PHE C 219
1.57A14.38
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.
3GCS_A_BAXA401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		Sorafenib4 / 6
MET A 276
LEU D 271
ILE A 281
ILE A 286
1.25A16.29
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.
5VOO_B_C2FB702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		Levomefolic acid5 / 12
ASN C 238
GLY B 278
VAL D 204
LEU B 268
ILE B 281
1.34A17.79
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.
2E1Q_A_SALA2006_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid4 / 6
PHE B 230
THR D 201
VAL D 204
LEU D 208
1.16A6.13
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.
2FUM_A_MIXA539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		Mitoxantrone5 / 12
LEU B 282
GLY B 283
ALA D 211
ASN C 238
MET B 276
1.29A17.67
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.
4JBT_A_ASDA501_1
(CYTOCHROME P450
MONOOXYGENASE)		4-Androstenedione5 / 12
MET C 264
PHE A 219
ALA A 211
ALA A 210
LEU C 250
1.47A15.58
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.
4Z91_E_4LEE401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		Isoflurane6 / 10
LEU A 242
LEU A 227
THR A 225
LEU A 262
THR C 201
LEU C 205
1.57A17.20
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.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		Sulfathiazole4 / 8
LEU C 205
CYH A 265
PHE A 230
GLN A 244
1.37A16.67
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.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Memantine4 / 6
TYR D 237
ASN D 238
GLU A 270
LEU A 287
1.57A17.20
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.
5MTH_A_ACTA302_0
(ANTIBODY FAB HEAVY
CHAIN)		Acetic acid4 / 5
SER A 254
ALA A 260
LEU C 220
ASP A 263
1.79A17.65
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.
4K13_A_ETSA304_1
(CARBONIC ANHYDRASE 2)		Dorzolamide5 / 12
HIS D 246
VAL D 247
LEU D 262
LEU B 205
THR B 201
1.41A18.29
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.
4QOP_C_HQEC503_1
(CATALASE)		Hydroquinone4 / 8
ILE B 200
TYR D 239
LEU D 242
PHE D 230
1.14A13.98
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.
3DC3_A_AZMA263_1
(CARBONIC ANHYDRASE 2)		Acetazolamide5 / 12
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.57A18.08
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.
6A7J_A_TESA502_0
(CYTOCHROME P450)		Testosterone4 / 7
PHE C 291
LEU A 208
ALA A 210
ALA A 211
1.17A13.97
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.
5X1F_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
ARG B 222
PHE B 230
LEU B 271
PHE D 219
1.66A19.23
21.59
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.
1MZ9_A_VDYA1002_2
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol3 / 3
ILE C 286
LEU C 287
VAL A 204
0.91A18.75
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.
4WG0_B_CHDB102_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		Cholic Acid5 / 11
LEU D 271
ARG D 222
LEU D 268
LEU D 287
ALA B 211
1.42A8.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1G_B_LNLB701_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Alpha-Linolenic Acid4 / 7
VAL A 233
LEU A 232
MET B 235
VAL B 233
1.25A11.31
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.
1RLB_F_REAF177_1
(RETINOL BINDING
PROTEIN)		Tretinoin5 / 11
LEU A 262
VAL A 261
LEU A 250
LEU A 242
GLN A 244
1.41A18.08
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.
4GKH_K_KANK301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 8
ASP D 289
GLU D 288
ASP A 289
GLU A 288
1.24A17.98
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.
6B89_A_NOVA403_2
(LIPOPOLYSACCHARIDE
EXPORT SYSTEM
ATP-BINDING PROTEIN
LPTB)		Novobiocin4 / 6
PHE B 219
ARG D 222
LEU B 208
ALA B 211
1.52A17.57
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.
5JQ7_B_T0RB705_1
(ENVELOPE
GLYCOPROTEIN
1,ENVELOPE
GLYCOPROTEIN
1,ENVELOPE
GLYCOPROTEIN 1
ENVELOPE
GLYCOPROTEIN 2)		Toremifene4 / 7
LEU D 205
GLU B 270
ALA B 266
LEU B 272
1.06A15.50
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.
1DDS_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA A 266
LEU C 205
ILE A 281
LEU A 287
THR A 225
1.52A24.38
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.
5M66_D_ADND502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
THR A 199
THR D 199
LEU B 272
0.78A12.94
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.
3ABL_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 5
ARG B 222
PHE B 230
LEU B 271
PHE D 219
1.73A19.23
21.59
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.
1I2W_B_CFXB2300_2
(BETA-LACTAMASE)		Cefoxitin3 / 3
PRO B 241
LEU B 242
THR B 292
0.97A17.99
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.
1AXW_A_MTXA732_1
(THYMIDYLATE SYNTHASE)		Methotrexate5 / 12
HIS C 246
ILE C 249
LEU C 253
GLY C 251
VAL C 297
1.44A17.74
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.
1G5Y_B_9CRB501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin6 / 12
ALA C 211
LEU C 205
LEU A 271
ALA A 267
LEU A 287
ILE A 281
1.55A18.07
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.
4COQ_A_SANA300_1
(CARBONATE
DEHYDRATASE)		Sulfanilamide5 / 10
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.61A18.07
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.
3IW1_A_ASDA1223_1
(CYTOCHROME P450
CYP125)		4-Androstenedione5 / 12
PRO A 252
SER A 254
ILE A 259
VAL A 261
VAL A 247
1.53A15.11
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.
4PGF_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 6
THR C 201
GLU A 240
THR A 225
LEU C 205
1.38A14.25
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.
3AG1_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 4
ARG B 222
PHE B 230
LEU B 271
PHE D 219
1.71A19.23
21.59
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.
1LHV_A_NOGA301_1
(SEX HORMONE-BINDING
GLOBULIN)		Levonorgestrel4 / 8
THR A 225
ASP A 229
ASN A 228
LEU C 205
1.37A22.47
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.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 12
LEU A 202
ALA A 206
GLU C 288
LEU C 250
LEU C 268
1.51A18.06
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.
2POU_A_I7AA1000_1
(CARBONIC ANHYDRASE 2)		Diclofenamide5 / 12
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.66A19.15
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.
5GWX_A_SAMA301_1
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
ARG B 222
ASN B 274
ASP D 229
1.53A20.85
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.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 12
TRP D 207
LEU B 287
LEU D 220
MET B 264
ALA B 267
1.46A19.12
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.
1U65_A_CP0A1000_1
(ACETYLCHOLINESTERASE)		Irinotecan5 / 11
TYR A 239
TYR A 237
GLU C 270
LEU D 287
ASP D 289
1.79A11.05
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.
2G78_A_REAA200_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)		Tretinoin5 / 12
ILE D 259
ALA D 260
THR D 226
THR D 224
VAL D 247
1.44A24.49
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.
4LU3_A_AZMA302_1
(CARBONIC ANHYDRASE
14)		Acetazolamide5 / 11
HIS D 246
VAL D 247
LEU D 262
LEU B 205
THR B 201
1.27A18.96
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.
3ZOA_A_ACRA1587_2
(TREHALOSE
SYNTHASE/AMYLASE
TRES)		Acarbose3 / 3
ARG D 298
PHE D 294
PRO D 293
1.43A12.98
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.
3E22_B_LOCB700_2
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 11
LEU D 208
ALA B 267
LYS B 269
LEU B 271
ASN B 274
1.47A11.94
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.
1ONI_D_BEZD507_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		Benzoic Acid4 / 7
PHE B 219
ALA B 211
ILE D 259
TYR B 209
1.09A22.49
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.
5JNC_C_6LHC302_0
(CARBONIC ANHYDRASE 4)		Mafenide5 / 9
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.52A16.36
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.
1DDS_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA A 266
LEU C 205
ILE A 281
LEU A 287
THR A 225
1.53A24.38
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.
3K13_A_THHA642_0
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		Levomefolic acid5 / 12
ASN D 238
GLY A 278
VAL C 204
PHE C 223
ILE A 281
1.65A17.00
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.
1KT4_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		Vitamin A5 / 12
LEU D 262
LEU D 250
ALA B 210
ALA B 206
VAL D 247
1.61A18.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NXU_A_RITA600_2
(CYTOCHROME P450 3A4)		Ritonavir4 / 7
ARG C 217
ILE A 259
LEU C 208
ARG A 279
1.35A16.15
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.
3HCN_B_CHDB2_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid3 / 3
LEU D 205
LEU D 208
ARG B 222
1.18A17.09
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.
3NDW_A_RITA100_1
(PROTEASE)		Ritonavir5 / 12
ARG A 279
ASP C 216
GLY C 215
ALA C 211
ILE A 281
1.40A18.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WM3_A_NFLA1301_1
(NMRA-LIKE FAMILY
DOMAIN CONTAINING
PROTEIN 1)		Niflumic Acid4 / 6
LEU D 205
THR D 201
LEU B 227
ASP B 263
1.49A16.72
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.
5VUN_A_MTLA805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
GLN B 273
PHE B 230
ASN B 228
ASP B 229
1.52A15.62
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.
2IDW_B_017B401_2
(PROTEASE)		Darunavir5 / 9
ASP A 216
GLY A 215
ALA A 211
ILE C 259
ILE C 281
1.55A18.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JNC_B_6LHB302_0
(CARBONIC ANHYDRASE 4)		Mafenide5 / 10
GLN D 244
VAL D 247
LEU D 262
THR D 225
THR D 226
1.57A16.36
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.
3R9C_A_ECLA451_1
(CYTOCHROME P450
164A2)		Econazole5 / 10
LEU C 262
LEU C 268
ALA C 267
VAL A 212
THR C 257
1.28A13.38
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.
4NKX_A_STRA601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Progesterone4 / 6
ARG C 222
GLU C 270
VAL C 233
ALA C 234
1.19A12.60
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.
6NMP_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ARG B 222
PHE B 230
LEU B 271
PHE D 219
1.79A19.23
21.59
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.
5JN8_D_AZMD701_1
(CARBONIC ANHYDRASE 4)		Acetazolamide5 / 10
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.54A16.36
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.
3FRB_X_TOPX300_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 11
LEU A 242
LEU C 205
VAL A 261
ILE A 249
THR A 225
1.42A22.58
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.
3NUJ_B_478B401_2
(PROTEASE)		Amprenavir5 / 9
ASP C 216
GLY C 215
ALA C 211
ILE A 259
ILE A 281
1.50A18.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J6C_A_STRA501_1
(CYTOCHROME P450
MONOOXYGENASE)		Progesterone5 / 11
MET C 264
PHE A 219
ALA A 211
ALA A 210
LEU C 250
1.52A15.58
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.
3QL0_A_FOLA160_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 266
LEU C 205
ILE A 281
LEU A 287
THR A 225
1.48A22.22
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.
3KU9_B_SPMB700_1
(POLYAMINE OXIDASE)		Spermine4 / 7
GLU A 270
TYR C 237
GLU C 270
PHE A 223
1.43A14.38
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.
6BAA_E_GBME2001_1
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8)		Glyburide5 / 12
MET C 276
ASN B 231
THR B 243
LEU B 242
SER C 284
1.77A6.00
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.
3GVU_A_STIA1002_1
(TYROSINE-PROTEIN
KINASE ABL2)		Imatinib5 / 8
ALA D 206
VAL D 204
LEU D 202
LEU D 205
VAL B 261
1.48A17.36
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.
5ND2_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
ASP C 289
GLU C 240
ALA C 234
PHE C 230
LEU A 205
1.74A11.94
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.
5ZCP_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ARG B 222
PHE B 230
LEU B 271
PHE D 219
1.63A19.23
21.59
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.
5UVM_B_ADNB207_1
(HISTIDINE TRIAD
(HIT) PROTEIN)		Adenosine5 / 12
ILE C 286
ILE B 286
ASN C 238
THR A 201
VAL A 204
1.23A20.26
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.
4Z69_A_DIFA1006_1
(SERUM ALBUMIN)		Diclofenac4 / 7
LEU A 287
TYR A 237
GLY A 275
LYS D 236
1.46A12.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M11_A_MXMA606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Meloxicam5 / 12
LEU D 287
LEU D 227
LEU B 205
ALA D 234
LEU D 272
1.28A12.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L39_B_SALB601_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		Salicylic acid4 / 7
THR C 199
ILE D 286
THR D 280
GLY D 278
1.09A11.80
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		Marimastat5 / 9
LEU C 242
THR A 201
GLU C 240
ILE C 249
LEU C 250
1.29A23.39
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.
4J24_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
LEU C 205
LEU C 202
LEU A 253
ILE A 259
LEU A 262
1.46A17.89
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.
3BWC_B_SAMB501_0
(SPERMIDINE SYNTHASE)		S-Adenosylmethionine5 / 12
LEU D 272
ASP D 289
ILE D 281
VAL B 204
GLY D 283
1.55A17.52
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.
6D9K_F_ACTF802_0
(UNCHARACTERIZED
PROTEIN)		Acetic acid3 / 3
TYR D 209
ALA B 267
LEU D 220
1.28A10.22
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.
4PSY_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 266
LEU C 205
ILE A 281
LEU A 287
THR A 225
1.52A24.38
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.
4WKQ_A_IREA1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib5 / 12
LEU C 208
LEU A 262
ASP A 245
LEU A 242
THR C 201
1.28A15.55
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.
3HEG_A_BAXA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		Sorafenib5 / 12
VAL D 297
VAL D 296
ALA B 206
GLU D 290
ILE B 200
1.24A16.38
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.
1O76_A_CAMA1420_0
(CYTOCHROME P450-CAM)		Camphor5 / 10
THR B 225
THR B 243
LEU B 262
VAL B 247
THR D 201
1.57A14.65
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.
3R9C_A_ECLA452_1
(CYTOCHROME P450
164A2)		Econazole6 / 12
SER B 254
LEU D 208
LEU B 268
THR D 201
LEU D 202
LEU B 227
1.70A13.38
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.
4N09_A_ADNA401_1
(ADENOSINE KINASE)		Adenosine5 / 12
ASP C 263
LEU C 271
ALA C 267
PHE A 219
GLY C 258
1.57A19.39
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.
3HS4_A_AZMA701_1
(CARBONIC ANHYDRASE 2)		Acetazolamide5 / 11
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.62A19.15
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.
1P6K_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
GLN B 273
PHE B 230
ASN B 228
ASP B 229
1.53A15.62
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.
1JOL_B_FFOB361_0
(DIHYDROFOLATE
REDUCTASE)		Levoleucovorin5 / 12
ALA A 266
LEU C 205
ILE A 281
LEU A 287
THR 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.
5WAU_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
ARG B 222
PHE B 230
LEU B 271
PHE D 219
1.70A19.23
21.59
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.
3GWX_B_EPAB3_1
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		Icosapent5 / 12
THR C 199
THR C 201
LEU A 287
ILE A 286
LEU A 242
1.45A18.05
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.
1TV8_A_SAMA1501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		S-Adenosylmethionine4 / 7
TYR B 239
THR A 199
GLU C 288
VAL D 204
1.22A15.97
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.
2FUM_D_MIXD3539_1
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		Mitoxantrone5 / 12
LEU B 282
GLY B 283
ALA D 211
ASN C 238
MET B 276
1.46A17.67
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.
4XIW_C_AZMC402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		Acetazolamide5 / 11
GLU C 240
HIS C 246
VAL C 247
LEU A 205
THR A 201
1.57A20.87
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.
1SN0_B_T44B602_1
(TRANSTHYRETIN)		Levothyroxine4 / 7
LEU B 242
GLU B 240
ALA B 234
LEU B 272
1.20A22.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5S_A_AZMA302_1
(CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE))		Acetazolamide5 / 11
GLU A 240
HIS A 246
VAL A 247
LEU C 205
THR C 201
1.54A19.70
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.
2CDQ_B_SAMB1500_0
(ASPARTOKINASE)		S-Adenosylmethionine4 / 7
ASP D 216
TRP D 218
ARG B 222
LEU D 220
1.58A13.21
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.
5JN9_A_EZLA302_1
(CARBONIC ANHYDRASE 4)		Ethoxzolamide5 / 10
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.52A16.36
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.
5Z85_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ARG B 222
PHE B 230
LEU B 271
PHE D 219
1.62A19.23
21.59
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.
3KP6_B_SALB3003_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		Salicylic acid4 / 6
ILE A 200
VAL A 204
LEU A 205
LEU C 242
1.34A21.59
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.
4L39_A_SALA602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		Salicylic acid4 / 6
LEU C 272
TYR C 239
ILE B 286
GLY B 275
1.21A11.80
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.
4J6D_A_TESA503_1
(CYTOCHROME P450
MONOOXYGENASE)		Testosterone5 / 12
MET C 264
PHE A 219
ALA A 211
ALA A 210
LEU C 250
1.50A15.58
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.
4XIW_G_AZMG402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		Acetazolamide5 / 12
GLU A 240
VAL A 261
LEU A 262
LEU A 227
THR A 243
1.42A20.87
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.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		Levomefolic acid5 / 12
ASN C 238
GLY B 278
VAL D 204
LEU B 268
ILE B 281
1.34A17.79
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.
5UTU_H_ADNH503_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
THR B 243
GLU B 240
THR D 199
LEU B 268
1.24A16.94
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.
6MA7_A_TPFA602_0
(CYTOCHROME P450 3A4)		Fluconazole4 / 7
ALA B 255
THR B 257
ILE B 259
ALA B 260
1.37A15.89
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.
3KP6_B_SALB3008_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		Salicylic acid4 / 7
GLU A 288
VAL C 204
VAL A 296
ALA C 210
1.44A21.59
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.
2HW2_A_RFPA1200_1
(RIFAMPIN ADP-RIBOSYL
TRANSFERASE)		Rifampicin5 / 12
PHE D 219
MET B 276
GLY B 275
LEU B 271
LEU B 272
1.42A21.48
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.
6HZP_A_FVTA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		Aminolevulinic acid4 / 8
VAL C 233
GLN A 273
ASN C 274
GLU A 270
1.42A13.69
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.
5HRQ_E_IPHE101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		Phenol4 / 7
CYH B 265
ILE B 259
LEU D 205
ALA D 206
1.61A20.45
25.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J24_D_ESTD600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
MET D 264
LEU D 253
ILE D 281
LEU D 282
LEU B 220
1.50A17.89
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.
2AQU_B_DR7B300_1
(HIV-1 PROTEASE)		Atazanavir5 / 10
ARG A 279
ASP C 216
GLY C 215
ALA C 211
ILE A 281
1.42A19.67
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.
1RS7_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
GLN B 273
PHE B 230
ASN B 228
ASP B 229
1.57A15.62
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.
5TIW_A_OAQA302_0
(SULFOTRANSFERASE)		Oxamniquine7 / 12
ILE A 249
ILE C 200
LEU A 250
PHE A 294
LEU A 242
THR C 201
LEU C 205
1.62A20.00
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.
6C06_D_FI8D1404_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		Fidaxomicin4 / 8
ILE A 200
THR A 199
GLU B 288
SER B 284
1.33A7.96
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.
5VCG_A_08YA602_2
(CYTOCHROME P450 3A4)		Bromocriptine3 / 3
ARG C 222
ARG A 222
ARG C 217
1.35A15.36
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.
3V4T_A_ACTA504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid3 / 3
THR D 199
VAL D 204
GLU B 240
1.22A13.80
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.
1ZZQ_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Mannitol4 / 8
GLN B 273
PHE B 230
ASN B 228
ASP B 229
1.54A15.70
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.
5MO4_A_NILA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		Nilotinib5 / 10
LEU A 287
VAL C 204
GLU A 240
ILE C 200
GLY A 275
1.76A14.07
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.
4X20_B_LOCB502_1
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU B 272
ALA B 234
ASN B 238
VAL D 204
ILE D 200
1.45A11.94
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.
3BGR_A_T27A556_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H
P51 RT)		Rilpivirine5 / 11
ASN D 203
TYR D 209
LEU B 268
TYR B 239
GLU B 288
1.80A13.90
13.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ML5_A_AZMA264_1
(CARBONIC ANHYDRASE 7)		Acetazolamide5 / 11
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.53A17.97
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.
4O8Z_A_BBIA402_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		Amiodarone4 / 5
HIS A 246
PHE A 230
LEU A 250
PRO A 293
1.64A16.39
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.
1UWH_A_BAXA1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib4 / 6
ILE D 213
VAL B 296
ILE B 286
ILE C 286
1.11A18.15
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.
5IEO_A_VDYA206_1
(CDL2.3A)		Calcidiol5 / 12
LEU C 287
LEU A 208
PHE C 230
GLU C 240
ALA C 234
1.50A22.58
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.
5YU9_B_1E8B1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Ibrutinib6 / 12
GLY C 251
VAL C 261
LEU A 208
ASP C 245
LEU C 242
THR A 201
1.71A15.50
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.
5VOO_F_C2FF3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		Levomefolic acid5 / 12
ASN A 238
GLY D 278
VAL B 204
LEU D 268
ILE D 281
1.44A17.79
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.
6BQ4_B_ADNB401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		Adenosine5 / 12
ILE D 281
ASP B 216
VAL B 212
LEU D 268
ALA D 267
1.36A17.57
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.
1SN5_C_T3C601_2
(TRANSTHYRETIN)		Liothyronine4 / 8
GLU A 290
THR A 292
ALA C 206
LEU C 208
1.27A22.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TQB_A_FOLA2001_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 11
ALA B 266
LEU D 205
ILE B 281
LEU B 287
THR B 225
1.50A25.15
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.
4UDC_A_DEXA1778_2
(GLUCOCORTICOID
RECEPTOR)		Betamethasone3 / 3
MET B 264
GLN B 273
TYR B 237
1.79A20.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D4F_B_ADNB602_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		Adenosine4 / 5
THR A 198
THR A 199
THR C 292
HIS C 246
1.53A15.98
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.
3N62_A_MTLA870_0
(NITRIC OXIDE
SYNTHASE)		Mannitol4 / 8
GLN B 273
PHE B 230
ASN B 228
ASP B 229
1.50A15.62
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.
1CIL_A_ETSA263_1
(CARBONIC ANHYDRASE
II)		Dorzolamide5 / 12
GLN B 244
VAL B 247
LEU B 262
THR B 225
THR B 226
1.61A19.15
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.
3MSS_A_STIA1_1
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
TYR D 209
ALA D 211
MET B 276
LEU D 220
ALA B 267
1.35A17.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXC_A_P1ZA2001_1
(SERUM ALBUMIN)		Phenylbutazone5 / 12
LEU D 208
LEU D 205
ALA B 260
ILE B 259
ALA B 266
1.13A12.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		Bedaquiline3 / 3
GLU B 270
ALA B 266
PHE B 223
1.04A21.14
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.
3OOI_A_SAMA237_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC)		S-Adenosylmethionine5 / 12
ARG D 279
GLY D 278
ASN A 238
ASN D 277
LEU D 271
1.72A20.35
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.
1YDA_A_AZMA264_1
(CARBONIC ANHYDRASE
II)		Acetazolamide5 / 10
GLN B 244
VAL B 247
VAL B 261
THR B 225
THR B 226
1.60A19.15
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.
2QD4_B_CHDB927_0
(FERROCHELATASE)		Cholic Acid3 / 3
LEU C 253
PRO C 252
ARG C 298
0.88A17.09
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.
6H7U_A_FVTA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		Aminolevulinic acid4 / 6
VAL A 204
ASN A 203
ILE A 200
GLU C 240
1.68A13.69
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.
1LII_A_ADNA699_1
(ADENOSINE KINASE)		Adenosine5 / 12
ASN C 231
LEU C 262
THR C 226
LEU C 227
ASN A 277
1.47A16.85
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.
5A6I_A_TCWA1124_1
(TRANSTHYRETIN)		Tolcapone4 / 6
LEU A 202
ALA A 206
LEU A 205
VAL C 297
1.37A19.71
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.
5WEA_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 5
LEU A 287
TYR D 237
LEU A 271
GLU A 270
1.72A9.55
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.
3FC6_C_REAC501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Tretinoin6 / 12
VAL C 261
CYH C 265
ALA C 267
LEU C 271
PHE A 219
LEU A 220
1.72A17.77
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.
6HD6_B_STIB601_0
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
LEU C 253
VAL C 296
ALA A 210
ILE C 286
ASP C 289
1.34A17.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		Miconazole5 / 12
ALA C 234
VAL A 204
LEU C 250
ALA A 210
TYR A 209
1.34A14.93
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		Tirofiban5 / 12
LEU D 232
ASP D 229
TYR B 237
ASN C 274
GLU A 270
1.39A12.58
13.52
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.
6NM4_A_SAMA402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9)		S-Adenosylmethionine4 / 7
GLY B 275
LEU B 271
GLY C 275
TYR B 237
1.13A16.58
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.
4XO7_A_ASDA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		4-Androstenedione4 / 7
TYR C 237
ILE C 286
LEU B 271
LEU B 287
1.48A18.79
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.
1YC2_A_NCAA506_0
(NAD-DEPENDENT
DEACETYLASE 2)		Nicotinamide4 / 6
ALA B 267
PHE D 219
ILE B 259
ASP B 263
1.19A15.02
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.
3CS9_D_NILD600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Nilotinib5 / 12
VAL A 261
MET A 264
ILE A 259
GLY A 283
ALA C 211
1.39A17.09
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.
3B9M_A_SALA1100_1
(SERUM ALBUMIN)		Salicylic acid4 / 4
LEU A 271
ARG C 217
LEU C 220
ALA C 211
1.70A12.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J6C_B_STRB503_1
(CYTOCHROME P450
MONOOXYGENASE)		Progesterone5 / 10
MET C 264
PHE A 219
ALA A 211
ALA A 210
LEU C 250
1.51A15.58
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.
4EQ4_B_SALB601_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		Salicylic acid4 / 8
THR C 199
ILE D 286
THR D 280
GLY D 278
1.06A11.80
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.
4OR0_A_NPSA602_1
(SERUM ALBUMIN)		Naproxen5 / 9
ARG C 222
ALA C 266
ALA C 267
LEU C 262
VAL C 261
1.53A11.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X1G_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		Ethinyl Estradiol5 / 12
LEU D 268
LEU B 205
SER D 254
ARG D 222
LEU D 262
1.52A17.39
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.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		Etodolac5 / 12
GLU C 270
LEU C 208
LEU A 271
LEU A 272
ALA A 266
1.51A12.26
None