PDB ID: 5y3q


Macromolecule:
REPLICASE POLYPROTEIN 1A

Source Organism:
SARSr-CoV

Gene names:
1a

UniProt ID:
P0C6U8

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '5y3q'

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.
1AZM_A_AZMA262_1
(CARBONIC ANHYDRASE I)		Acetazolamide4 / 8
PHE A  80
LEU A 173
THR A 169
HIS A 172
1.52A21.23
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.
5NKN_A_LOCA201_1
(NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN)		Colchicine5 / 12
GLY A 288
PHE A 305
MET A 244
LEU A 124
THR A 278
1.66A18.40
 NA  A 405 (-3.8A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FBN_B_SAMB401_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 7
ASP A 287
ILE A 286
LYS A 280
ILE A 277
1.35A19.76
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.
2IWK_B_CUB1599_0
(NITROUS OXIDE
REDUCTASE)		Copper3 / 3
CYH A 227
CYH A 190
HIS A 192
1.31A19.72
 ZN  A 401 (-2.3A)
ZN  A 401 (-2.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YMG_B_SAMB1001_1
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		S-Adenosylmethionine3 / 3
SER A 104
GLU A 264
GLU A 296
1.24A21.04
 NA  A 405 ( 3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU7_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 173
TYR A 274
ALA A 120
LEU A 124
ALA A 262
1.49A22.77
None
None
NA  A 404 ( 3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B0C_D_TA1D502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
GLU A 281
LEU A 254
THR A 275
GLY A 100
LEU A 291
1.26A21.70
None
GOL  A 408 (-4.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WRK_B_TFPB203_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Trifluoperazine4 / 5
PHE A 128
LEU A 174
PHE A 148
SER A 116
1.59A13.53
None
None
None
NA  A 404 (-3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NXE_A_SAMA302_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
THR A  19
ASP A  13
SER A  67
1.29A20.77
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.
4DF3_A_SAMA301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		S-Adenosylmethionine5 / 12
GLY A  82
THR A  35
ALA A  69
VAL A  12
ALA A 154
1.49A17.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V81_A_NVPA901_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		Nevirapine4 / 8
LEU A 200
VAL A 206
TYR A 208
LEU A 186
1.35A20.95
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.
3OXC_A_ROCA401_2
(PROTEASE)		Saquinavir3 / 3
ARG A 184
LEU A 186
THR A 313
1.18A15.36
 NA  A 407 (-2.7A)
None
NA  A 403 (-3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZME_B_ADNB902_1
(MYOSIN HEAVY CHAIN
KINASE A)		Adenosine5 / 10
PHE A 242
VAL A 126
LEU A 133
LEU A 121
LEU A 173
1.37A21.39
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		Sitagliptin3 / 3
ARG A  66
SER A  86
TYR A  84
1.07A17.75
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.
3BEX_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid5 / 11
VAL A  99
THR A 278
ILE A 277
THR A 292
THR A 275
1.64A21.89
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.
3AV6_A_SAMA1_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1)		S-Adenosylmethionine5 / 12
GLY A 202
LEU A 179
LEU A 260
ALA A 205
VAL A 203
1.51A12.84
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.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		Ceftriaxone5 / 12
SER A 115
SER A 104
ASN A 111
GLY A 288
ASP A 109
1.77A19.82
 NA  A 405 (-2.9A)
NA  A 405 ( 3.9A)
None
NA  A 405 (-3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YV5_A_SVRA205_1
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		Suramin4 / 7
ASN A 129
LYS A 127
TYR A 137
LEU A 151
1.59A15.51
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.
6CBZ_A_ESTA601_1
(ESTROGEN RECEPTOR)		Estradiol4 / 8
LEU A 151
LEU A 153
HIS A 176
LEU A 173
1.24A21.75
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.
3L4D_D_TPFD490_1
(STEROL 14-ALPHA
DEMETHYLASE)		Fluconazole5 / 8
PHE A  80
TYR A  73
ALA A 154
ALA A 150
THR A  91
1.75A19.65
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		Atenolol4 / 5
LEU A 186
ILE A 223
SER A 222
GLY A 220
1.57A18.48
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.
2OA1_B_ADNB2005_1
(TRYPTOPHAN
HALOGENASE)		Adenosine4 / 7
GLY A  33
GLY A  29
ASP A  41
LEU A  59
0.92A19.57
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.
2X2N_B_X2NB1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		Posaconazole5 / 12
PHE A  80
TYR A  73
ALA A 154
ALA A 150
THR A  91
1.60A20.96
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.
2OIP_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		Methotrexate5 / 12
ALA A 150
LEU A 133
PHE A 148
THR A 169
LEU A 121
1.55A20.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L1F_A_6ZPA902_1
(GLUTAMATE RECEPTOR 2)		Perampanel4 / 8
SER A 246
TYR A 306
SER A 116
ASN A 263
1.38A18.53
None
GOL  A 408 (-4.9A)
NA  A 404 (-3.7A)
NA  A 404 (-2.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_W_CHDW1059_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid6 / 8
LEU A 124
PHE A 305
ARG A 167
MET A 170
THR A 171
LEU A 174
1.47A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M54_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL A 301
GLU A 264
ALA A 262
PHE A 259
LEU A 283
1.58A22.00
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.
4Q0B_A_NVPA901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Nevirapine4 / 8
LEU A 200
VAL A 206
TYR A 208
LEU A 186
1.36A20.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
LEU A 121
GLN A 122
PHE A 128
LEU A 173
1.10A23.03
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A 121
GLN A 122
PHE A 128
LEU A 173
1.24A23.03
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K39_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		S-Adenosylmethionine5 / 12
PHE A 242
GLN A 122
LEU A 118
VAL A 117
LEU A 174
1.58A21.11
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.
4LTW_A_486A303_1
(ANCESTRAL STEROID
RECEPTOR 2)		Mifepristone5 / 9
THR A  91
ALA A 146
LEU A 118
GLN A  98
PHE A  96
1.69A20.54
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.
2JFA_B_RALB600_1
(ESTROGEN RECEPTOR)		Raloxifene5 / 12
ALA A 262
ASP A 303
LEU A 212
LEU A 254
LEU A 283
1.56A21.62
None
None
None
GOL  A 408 (-4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SPK_B_TPVB100_2
(HIV-1 PROTEASE)		Tipranavir5 / 12
LEU A  88
ASN A 147
ALA A 136
GLY A 143
THR A  91
1.35A14.43
None
NA  A 406 (-3.8A)
NA  A 406 ( 3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OCU_A_TYLA3001_1
(LACTOTRANSFERRIN)		Acetaminophen3 / 3
LEU A 151
TYR A  84
GLY A  82
0.92A21.88
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		Ketoconazole5 / 11
THR A 169
VAL A 117
LEU A 121
ALA A 140
LEU A 133
1.42A21.43
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.
5ECK_A_ILEA601_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		L-Isoleucine4 / 6
THR A 171
VAL A 203
VAL A 117
HIS A 172
1.51A20.14
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.
2QB4_A_DSMA801_1
(TRANSPORTER)		Desipramine5 / 12
LEU A 151
GLN A 175
ALA A 177
PHE A 128
LEU A 121
1.20A21.71
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.
5MM4_B_TA1B501_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 10
VAL A 301
GLU A 264
ALA A 262
PHE A 259
LEU A 283
1.45A22.17
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.
1UKB_A_BEZA1301_0
(2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE)		Benzoic Acid4 / 6
LEU A  81
PHE A  80
ALA A  69
LEU A  59
1.57A20.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X1I_D_LOCD502_1
(TUBULIN BETA CHAIN)		Colchicine5 / 12
CYH A 149
LEU A 151
LEU A  88
ASN A  89
LYS A  93
1.45A21.70
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.
5HFJ_D_SAMD301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ASP A  13
PRO A  60
GLY A  82
SER A  86
TYR A  36
1.63A20.85
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.
5VC3_A_DB8A601_1
(WEE1-LIKE PROTEIN
KINASE)		Bosutinib5 / 12
GLU A  68
GLY A  39
ASP A  38
PHE A  57
ASP A  13
1.46A21.41
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.
5XDX_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT VIIA-HEART)		Cholic Acid6 / 8
LEU A 124
PHE A 305
ARG A 167
MET A 170
THR A 171
LEU A 174
1.51A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MX1_E_THAE5_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 12
GLY A 164
VAL A 117
LEU A 153
LEU A 114
LEU A 173
1.28A20.11
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.
3ABL_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 7
LEU A 124
ARG A 167
MET A 170
THR A 171
LEU A 174
1.08A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AB2_A_SNLA502_2
(MINERALOCORTICOID
RECEPTOR)		Spironolactone4 / 6
LEU A 121
LEU A 124
LEU A 174
LEU A 133
1.25A20.12
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.
3ERD_B_DESB800_1
(ESTROGEN RECEPTOR
ALPHA)		Diethylstilbestrol5 / 10
MET A 245
GLU A 204
LEU A 186
LEU A 200
LEU A 217
1.62A22.96
 NA  A 407 (-3.2A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J6P_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
ASP A 165
LEU A 254
PHE A 305
THR A 278
ARG A 285
1.29A21.79
GOL  A 409 (-3.1A)
GOL  A 408 (-4.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUF_D_SUED1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir4 / 5
PHE A 259
TYR A 284
LYS A 253
ARG A 285
1.61A21.05
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.
4V04_A_0LIA1772_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		Ponatinib5 / 12
VAL A 166
ALA A 262
LEU A 291
ASP A 287
GLY A 288
1.31A23.60
None
None
None
None
NA  A 405 (-3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0I_B_DAHB98_0
(MELC
TYROSINASE)		Levodopa5 / 11
ILE A 286
HIS A 273
VAL A 166
SER A 115
ASP A 303
1.65A21.79
16.10
None
BME  A 402 (-3.9A)
None
NA  A 405 (-2.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0W_B_SAMB501_1
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 5
TYR A  84
SER A  86
ALA A  87
THR A  91
1.62A20.50
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.
1ERE_E_ESTE600_1
(ESTROGEN RECEPTOR)		Estradiol4 / 8
MET A 245
GLU A 204
LEU A 200
LEU A 217
1.30A21.75
 NA  A 407 (-3.2A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JFF_B_TA1B601_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
ASP A 165
LEU A 254
PHE A 305
THR A 278
ARG A 285
1.23A21.79
GOL  A 409 (-3.1A)
GOL  A 408 (-4.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XZ5_A_ACHA1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Acetylcholine4 / 7
TRP A  94
TYR A 113
SER A 116
ILE A 105
1.63A20.00
None
None
NA  A 404 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G6S_C_RAUC400_1
(IMINE REDUCTASE)		Rasagiline5 / 12
GLN A 233
GLY A 220
VAL A 185
LEU A 217
TYR A 208
1.75A19.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZBR_A_NPSA603_1
(SERUM ALBUMIN)		Naproxen5 / 10
ARG A 139
ALA A 136
ASP A 144
LEU A 151
ALA A 150
1.29A18.89
None
NA  A 406 ( 3.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 10
ALA A  87
ALA A 154
LEU A 173
VAL A 117
TYR A 113
1.49A18.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IZ0_B_TA1B820_1
(BETA TUBULIN, CHAIN
B FROM PDB 1JFF)		Paclitaxel5 / 12
ASP A 165
LEU A 254
PHE A 305
THR A 278
ARG A 285
1.21A21.79
GOL  A 409 (-3.1A)
GOL  A 408 (-4.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_D_BEZD2385_0
(CES1 PROTEIN)		Benzoic Acid4 / 5
LEU A 174
SER A 241
LEU A 260
LEU A 121
1.38A21.74
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.
2YGP_A_PCFA1213_0
(WNT INHIBITORY
FACTOR 1)		Colfosceril palmitate5 / 12
ILE A 286
LEU A 102
VAL A 304
VAL A 301
PHE A 305
1.36A21.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		Warfarin5 / 11
ALA A 132
LEU A 133
HIS A 176
SER A 156
ALA A 154
1.59A18.71
 NA  A 406 (-4.3A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNW_B_RTZB602_1
(CYTOCHROME P450 2D6)		Thioridazine5 / 12
LEU A 124
GLN A 123
VAL A 126
VAL A 166
PHE A 305
1.39A21.88
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.
4X5G_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 150
LEU A 133
PHE A 148
THR A 169
LEU A 121
1.46A19.44
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.
4XI3_D_29SD601_2
(ESTROGEN RECEPTOR)		Bazedoxifene3 / 3
LEU A  37
ASP A  41
ILE A   6
0.91A23.42
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.
1DVT_A_FLPA125_1
(TRANSTHYRETIN)		Flurbiprofen5 / 8
LEU A 121
ALA A 177
LEU A 124
SER A 240
THR A 309
1.41A21.11
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.
3ASN_J_CHDJ60_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid5 / 6
LEU A 124
ARG A 167
MET A 170
THR A 171
LEU A 174
1.15A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		Telbivudine4 / 7
VAL A 304
LEU A 254
TYR A 297
GLN A 123
1.43A22.32
None
GOL  A 408 (-4.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IIZ_A_LURA201_1
(TRANSTHYRETIN)		Lumiracoxib3 / 3
LYS A  92
LEU A  88
ALA A 146
1.56A21.25
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.
3A27_A_SAMA250_1
(UNCHARACTERIZED
PROTEIN MJ1557)		S-Adenosylmethionine3 / 3
MET A 207
GLU A 168
ASN A 157
1.62A19.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VAS_B_ADNB401_2
(PUTATIVE ADENOSINE
KINASE)		Adenosine4 / 5
LEU A 114
MET A 170
THR A 169
PHE A 148
1.55A19.60
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.
4BLV_A_SAMA1281_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		S-Adenosylmethionine4 / 6
HIS A 273
SER A 115
GLU A 264
ASP A 287
1.65A22.22
BME  A 402 (-3.9A)
NA  A 405 (-2.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JYR_A_ACRA371_2
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		Acarbose4 / 7
ASN A 157
GLU A 168
TYR A 113
ARG A 167
1.58A22.14
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		Polidocanol5 / 12
ALA A 150
LEU A 153
ALA A 154
PHE A  80
TYR A  73
1.48A20.42
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.
2EIM_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		Cholic Acid4 / 5
ARG A 167
MET A 170
THR A 171
LEU A 174
0.68A11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 6
LEU A 124
ARG A 167
MET A 170
THR A 171
LEU A 174
1.13A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BF1_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid5 / 11
VAL A  99
THR A 278
ILE A 277
THR A 292
THR A 275
1.67A21.89
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.
4L6V_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
FUSION PROTEIN OF
PHOTOSYSTEM I
SUBUNIT III AND
SUBUNIT IX)		Phylloquinone5 / 9
PHE A  57
ALA A  87
LEU A  88
GLY A  39
ALA A 142
1.38A17.90
16.04
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.
2NNP_A_ROCA401_1
(PROTEASE)		Saquinavir5 / 11
GLY A  39
ASP A  41
GLY A  82
THR A 159
VAL A 160
1.26A15.36
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.
1RMT_D_ADND1504_1
(CLASS B ACID
PHOSPHATASE)		Adenosine4 / 8
ASP A 303
TYR A 297
LEU A 254
THR A 275
1.44A19.70
None
None
GOL  A 408 (-4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HDN_J_TACJ5888_1
(ELONGATION FACTOR
EF-TU)		Tetracycline4 / 6
THR A 302
ASP A 303
SER A 116
VAL A 117
1.65A7.67
19.84
GOL  A 409 (-3.5A)
None
NA  A 404 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_W_CHDW4060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		Cholic Acid5 / 7
LEU A 124
ARG A 167
MET A 170
THR A 171
LEU A 174
1.15A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDQ_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A 124
MET A 170
THR A 171
LEU A 174
1.06A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HVC_A_HFGA1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		Halofuginone5 / 12
PHE A 305
GLU A 168
HIS A 172
SER A 156
GLY A 164
1.78A22.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UDU_B_CIAB2003_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Tadalafil5 / 12
ILE A 286
ILE A 277
PHE A 305
LEU A 124
GLN A 123
1.25A23.31
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.
5Z85_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A 121
GLN A 122
PHE A 128
LEU A 173
1.23A23.03
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NX6_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 150
LEU A 133
PHE A 148
THR A 169
LEU A 121
1.47A19.75
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.
2A1O_B_CAMB2422_0
(CYTOCHROME P450-CAM)		Camphor5 / 9
TYR A 208
LEU A 217
GLY A 220
VAL A 188
ILE A 223
1.66A21.44
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.
4ZN7_B_DESB600_1
(ESTROGEN RECEPTOR)		Diethylstilbestrol5 / 11
LEU A 151
ALA A 150
LEU A 114
LEU A 153
ARG A  83
1.72A22.02
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.
5ZCO_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ARG A 167
MET A 170
THR A 171
LEU A 174
0.85A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N13_L_AG2L7014_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 7
LEU A 174
LEU A 133
ILE A 152
MET A 170
1.62A10.17
15.72
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.
6BXM_A_SAMA402_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		S-Adenosylmethionine5 / 12
PHE A 148
GLN A 134
LEU A 121
ARG A 139
ASP A 144
1.25A18.44
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.
5OTR_A_ACTA402_0
(CASEIN KINASE II
SUBUNIT ALPHA)		Acetic acid4 / 5
TYR A 252
VAL A 304
ASP A 303
ALA A 262
1.26A20.27
GOL  A 408 (-4.6A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
LEU A 121
GLN A 122
PHE A 128
LEU A 173
1.22A23.03
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.
3G1U_A_ADNA438_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU A 124
LEU A 179
LEU A 174
MET A 244
PHE A 305
1.77A21.63
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.
4ACB_C_DXCC1477_0
(TRANSLATION
ELONGATION FACTOR
SELB)		Deoxycholic Acid4 / 6
THR A 232
GLY A 220
ILE A 315
LEU A 186
1.50A21.26
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.
4EYR_B_RITB301_2
(HIV-1 PROTEASE)		Ritonavir4 / 8
ARG A 167
GLY A 164
PRO A 249
THR A 302
1.03A14.43
None
None
GOL  A 409 (-4.6A)
GOL  A 409 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WD9_C_IBPC1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		Ibuprofen5 / 10
THR A 292
LEU A 254
VAL A 301
GLY A 299
ARG A 285
1.61A21.14
None
GOL  A 408 (-4.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S8P_A_SAMA500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		S-Adenosylmethionine3 / 3
HIS A  74
SER A  67
GLU A  71
1.33A20.24
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.
5DXB_A_ESTA1000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU A 151
ALA A 150
LEU A  88
ARG A 139
GLY A  82
1.76A22.96
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.
5X7P_B_ACRB1421_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		Acarbose4 / 6
TYR A 265
GLU A 251
GLY A 267
GLY A 272
1.31A13.70
GOL  A 409 (-3.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CYX_A_ROCA201_4
(HIV-1 PROTEASE)		Saquinavir4 / 4
LEU A 217
ASP A 230
VAL A 188
THR A 198
1.44A15.36
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.
1TZ8_C_DESC129_1
(TRANSTHYRETIN)		Diethylstilbestrol4 / 6
LEU A 121
ALA A 177
LEU A 124
SER A 240
1.36A21.25
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.
5J2T_C_VLBC503_1
(TUBULIN BETA-2B
CHAIN
TUBULIN ALPHA-1B
CHAIN)		Vinblastine5 / 9
ASP A 287
PHE A 305
THR A 302
TYR A 297
LEU A 254
1.45A21.70
None
None
GOL  A 409 (-3.5A)
None
GOL  A 408 (-4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AJV_L_COCL501_1
(ANTIBODY 7A1 FAB')		Cocaine4 / 7
ALA A 140
ARG A 139
TYR A  73
TYR A 155
1.59A21.23
17.93
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.
2W98_A_P1ZA1351_1
(PROSTAGLANDIN
REDUCTASE 2)		Phenylbutazone5 / 10
PHE A 128
MET A 170
LEU A 118
VAL A 117
LEU A 121
1.38A20.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M8R_A_MMSA511_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		Mimosine4 / 7
ASN A  16
HIS A  18
LEU A  17
VAL A  12
1.47A19.39
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.
6AYC_A_1YNA502_1
(PROTEIN CYP51)		Itraconazole5 / 12
TYR A  72
PHE A  80
TYR A  73
ALA A 154
ALA A 150
1.47A22.34
 NA  A 406 (-4.9A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IB4_A_ERMA2001_1
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		Ergotamine5 / 12
LEU A 173
ALA A 146
TRP A  94
PHE A  96
LEU A 102
1.41A20.05
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.
5JQ7_B_T0RB705_1
(ENVELOPE
GLYCOPROTEIN
1,ENVELOPE
GLYCOPROTEIN
1,ENVELOPE
GLYCOPROTEIN 1
ENVELOPE
GLYCOPROTEIN 2)		Toremifene5 / 7
VAL A 117
LEU A 118
ALA A 120
LEU A 173
LEU A 174
1.53A22.51
None
None
NA  A 404 ( 3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEP_A_VDYA201_2
(CDL2.3B)		Calcidiol5 / 9
ILE A 152
VAL A 203
LEU A 174
TYR A 137
LEU A 118
1.62A21.97
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.
2AM9_A_TESA1000_1
(ANDROGEN RECEPTOR)		Testosterone5 / 12
ASN A 147
LEU A 133
MET A 170
LEU A 114
THR A  91
1.69A22.36
 NA  A 406 (-3.8A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3I9J_B_NCAB302_0
(ADP-RIBOSYL CYCLASE)		Nicotinamide4 / 6
LEU A  65
GLU A  68
ASN A  16
PHE A  57
1.74A20.41
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.
2AOU_A_CQAA403_0
(HISTAMINE
N-METHYLTRANSFERASE)		Amodiaquine4 / 8
ASP A 287
ASP A 165
TYR A 274
THR A 169
1.20A20.12
None
GOL  A 409 (-3.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VEU_H_RITH602_2
(CYTOCHROME P450 3A5)		Ritonavir4 / 5
ARG A  83
PHE A  57
LEU A  88
LEU A  59
1.63A20.28
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.
1EKJ_H_ACTH3006_0
(BETA-CARBONIC
ANHYDRASE)		Acetic acid4 / 6
CYH A 227
VAL A 226
HIS A 192
CYH A 193
1.52A24.17
 ZN  A 401 (-2.3A)
None
None
ZN  A 401 (-2.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UCJ_A_AZMA229_2
(CARBONIC ANHYDRASE)		Acetazolamide3 / 3
GLN A  31
PHE A  32
TYR A  28
1.45A22.89
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.
4LTW_A_STRA301_1
(ANCESTRAL STEROID
RECEPTOR 2)		Progesterone5 / 12
LEU A 118
LEU A 119
ALA A 120
MET A 170
LEU A 173
1.58A20.54
None
None
NA  A 404 ( 3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NUJ_A_Z80A201_1
(BETA-LACTOGLOBULIN)		Chlorpromazine5 / 8
ALA A 177
VAL A 126
PHE A 305
LEU A 124
MET A 170
1.64A21.85
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.
5TQR_B_SAMB8009_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2, POLYCOMB
PROTEIN SUZ12)		S-Adenosylmethionine5 / 10
LEU A 200
VAL A 243
TYR A 214
TYR A 311
TYR A 208
1.76A15.26
None
NA  A 407 (-4.1A)
None
NA  A 403 (-4.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F3T_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 4
PHE A 128
VAL A 126
ALA A 177
PHE A 242
1.61A17.93
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.
5HNW_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
ASP A 165
LEU A 254
PHE A 305
THR A 278
ARG A 285
1.16A21.54
GOL  A 409 (-3.1A)
GOL  A 408 (-4.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HXF_B_TA1B601_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
ASP A 165
LEU A 254
PHE A 305
THR A 278
ARG A 285
1.23A21.79
GOL  A 409 (-3.1A)
GOL  A 408 (-4.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YOE_C_FL7C1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Flurazepam4 / 8
GLY A 288
ILE A 152
VAL A 160
SER A 104
1.26A20.90
 NA  A 405 (-3.8A)
None
None
NA  A 405 ( 3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TJZ_A_BEZA302_0
(4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE)		Benzoic Acid3 / 3
MET A 244
GLU A 168
ARG A 167
1.61A21.75
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.
3ABM_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 6
LEU A 124
ARG A 167
MET A 170
THR A 171
LEU A 174
1.08A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BU1_A_HSMA301_1
(LIPOCALIN)		Histamine4 / 7
SER A 213
TYR A 306
VAL A 243
ASP A 215
1.60A18.24
None
GOL  A 408 (-4.9A)
NA  A 407 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4C_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 5
PHE A 128
VAL A 126
ALA A 177
PHE A 242
1.66A17.93
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.
1V55_W_CHDW4060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		Cholic Acid6 / 8
LEU A 124
PHE A 305
ARG A 167
MET A 170
THR A 171
LEU A 174
1.46A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6J20_A_GBQA1201_1
(SUBSTANCE-P
RECEPTOR,ENDOLYSIN)		Aprepitant4 / 7
ILE A 152
GLU A 168
VAL A 117
TRP A  94
1.20A20.26
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.
2EIL_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
LEU A 121
GLN A 122
PHE A 128
LEU A 173
1.12A23.03
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKR_B_ID8B602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Mefenamic acid3 / 3
SER A 115
LEU A 174
MET A 170
1.64A19.41
 NA  A 405 (-2.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIJ_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 6
LEU A 124
ARG A 167
MET A 170
THR A 171
LEU A 174
1.15A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SPK_A_TPVA100_1
(HIV-1 PROTEASE)		Tipranavir5 / 11
LEU A  88
ASN A 147
ALA A 136
GLY A 143
THR A  91
1.36A14.43
None
NA  A 406 (-3.8A)
NA  A 406 ( 3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_D_MTXD617_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		Methotrexate5 / 12
ALA A 150
LEU A 133
PHE A 148
THR A 169
LEU A 121
1.55A20.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		Varenicline4 / 8
VAL A 236
TYR A 214
TYR A 311
ILE A 315
1.24A23.15
None
None
NA  A 403 (-4.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TRQ_B_ACTB307_0
(WELO5)		Acetic acid3 / 3
GLU A  52
HIS A  51
VAL A  49
1.44A20.36
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.
1G50_C_ESTC2600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU A 124
LEU A 173
LEU A 174
HIS A 276
LEU A 118
1.71A23.75
None
None
None
NA  A 404 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3C_A_017A201_1
(HIV-1 PROTEASE)		Darunavir4 / 7
GLY A  29
ASP A  23
VAL A  22
ILE A  45
1.22A14.10
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.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		Acetylsalicylic acid3 / 3
GLU A 180
GLY A 202
THR A 201
0.62A21.88
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.
2QBM_A_CAMA517_0
(CYTOCHROME P450-CAM)		Camphor4 / 8
TYR A 113
VAL A 160
THR A 159
ILE A 152
1.24A23.01
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.
5EAJ_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 150
LEU A 133
PHE A 148
THR A 169
LEU A 121
1.45A19.75
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.
5DXG_A_ESTA1000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 9
LEU A 124
LEU A 173
LEU A 174
HIS A 276
LEU A 118
1.70A22.96
None
None
None
NA  A 404 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2N_A_X2NA1480_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		Posaconazole6 / 12
TYR A  72
PHE A  80
TYR A  73
ALA A 154
ALA A 150
THR A  91
1.75A20.96
 NA  A 406 (-4.9A)
None
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A29_A_TFPA154_1
(CALMODULIN)		Trifluoperazine5 / 10
ALA A 120
LEU A 121
MET A 170
LEU A 174
MET A 207
1.72A18.57
 NA  A 404 ( 3.8A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EM2_A_SALA502_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SAR2349)		Salicylic acid4 / 8
TYR A 137
LEU A 173
VAL A 117
GLN A 122
1.37A20.43
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.
4X1F_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		Ethinyl Estradiol5 / 12
LEU A 153
LEU A 114
HIS A 172
LEU A 173
ILE A 152
1.31A21.75
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.
1TYL_C_TYLC100_1
(INSULIN)		Acetaminophen4 / 5
ILE A 152
CYH A 149
LEU A 118
ALA A 140
1.73A6.94
7.82
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.
2VL2_B_BEZB1162_0
(PEROXIREDOXIN-5)		Benzoic Acid4 / 7
THR A  35
PRO A  34
GLY A  33
THR A  27
1.10A19.22
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.
3ABL_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid6 / 8
LEU A 124
PHE A 305
ARG A 167
MET A 170
THR A 171
LEU A 174
1.50A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5D_A_SAMA306_0
(METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ALA A 120
VAL A 117
GLU A 125
PHE A 148
TYR A 138
1.65A21.58
 NA  A 404 ( 3.8A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HFJ_A_SAMA301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ASP A 230
GLY A 210
THR A 302
SER A 222
TYR A 208
1.64A20.85
None
None
GOL  A 409 (-3.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L6V_1_PQN12001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
FUSION PROTEIN OF
PHOTOSYSTEM I
SUBUNIT III AND
SUBUNIT IX)		Phylloquinone5 / 11
PHE A  57
GLY A  82
ALA A 150
LEU A  88
GLY A  39
1.07A17.90
16.04
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.
4YIA_B_IMNB401_1
(THYROXINE-BINDING
GLOBULIN)		Indomethacin5 / 10
SER A 116
LEU A 153
SER A 115
LEU A 114
TRP A  94
1.55A21.08
 NA  A 404 (-3.7A)
None
NA  A 405 (-2.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TXN_A_URFA302_1
(URIDINE
PHOSPHORYLASE)		Fluorouracil4 / 7
GLY A 143
GLN A  98
ALA A 145
ILE A 105
1.15A23.32
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.
5X1F_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid5 / 6
LEU A 124
ARG A 167
MET A 170
THR A 171
LEU A 174
1.15A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIK_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid6 / 8
LEU A 124
PHE A 305
ARG A 167
MET A 170
THR A 171
LEU A 174
1.48A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_A_ACTA3003_0
(BETA-CARBONIC
ANHYDRASE)		Acetic acid4 / 8
CYH A 227
VAL A 226
HIS A 192
CYH A 193
1.48A24.17
 ZN  A 401 (-2.3A)
None
None
ZN  A 401 (-2.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OHR_A_1UNA201_1
(ASPARTYLPROTEASE)		Nelfinavir5 / 11
GLY A  39
ASP A  41
GLY A  82
THR A 159
VAL A 160
1.33A15.96
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.
3QXY_A_SAMA6734_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		S-Adenosylmethionine5 / 12
ALA A  69
ALA A 154
TYR A  84
HIS A 176
TYR A 155
1.51A21.76
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.
3QLG_B_1N1B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Dasatinib5 / 12
LEU A 114
VAL A 117
MET A 207
GLY A 164
ASP A 303
1.37A23.27
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.
3SUD_D_SUED1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir4 / 5
PHE A 259
TYR A 284
LYS A 253
ARG A 285
1.70A21.05
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.
1SBR_A_VIBA502_1
(YKOF)		Thiamine4 / 6
ALA A 154
LEU A 153
ILE A 152
SER A 156
1.28A20.78
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.
5WYQ_B_SAMB301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine6 / 12
LEU A 102
PRO A  97
SER A 104
ILE A 286
LEU A 291
GLY A 101
1.68A18.90
None
None
NA  A 405 ( 3.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5T7B_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 7
LEU A  59
PRO A  34
LEU A  81
TYR A  36
1.40A17.93
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.
5TJY_A_BEZA304_0
(4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE)		Benzoic Acid3 / 3
MET A 244
GLU A 168
ARG A 167
1.57A21.75
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.
3SPK_A_TPVA100_2
(HIV-1 PROTEASE)		Tipranavir5 / 7
LEU A  88
ASN A 147
ALA A 136
GLY A 143
THR A  91
1.35A14.43
None
NA  A 406 (-3.8A)
NA  A 406 ( 3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_A_29EA603_1
(TRANSPORTER)		Duloxetine5 / 10
TYR A  84
VAL A  12
ALA A  69
TYR A  72
PHE A  57
1.63A22.26
None
None
None
NA  A 406 (-4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AXZ_A_ADNA401_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		Adenosine6 / 12
LEU A 102
PRO A  97
SER A 104
ILE A 286
LEU A 291
GLY A 101
1.62A21.41
None
None
NA  A 405 ( 3.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2UVN_B_ECNB1406_1
(CYTOCHROME P450 130)		Econazole5 / 11
ASP A  41
PRO A  34
THR A  10
LEU A  81
TYR A  36
1.74A18.84
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.
5DXE_A_ESTA1000_1
(ESTROGEN RECEPTOR)		Estradiol4 / 8
LEU A 151
LEU A 153
HIS A 176
LEU A 173
1.25A22.96
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.
5HV1_A_RFPA902_1
(PHOSPHOENOLPYRUVATE
SYNTHASE)		Rifampicin5 / 12
VAL A 166
ALA A 120
VAL A 117
LEU A 174
LEU A 254
1.36A16.29
None
NA  A 404 ( 3.8A)
None
None
GOL  A 408 (-4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TW4_A_CHDA131_0
(FATTY ACID-BINDING
PROTEIN)		Cholic Acid5 / 11
ASN A 111
THR A  91
LEU A 153
VAL A 117
GLN A 122
1.70A16.77
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.
3E22_B_LOCB700_2
(TUBULIN BETA-2B
CHAIN)		Colchicine6 / 11
CYH A 149
LEU A 151
ALA A 150
LEU A  88
ASN A  89
LYS A  93
1.69A21.70
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.
3RC0_B_SAMB480_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		S-Adenosylmethionine5 / 12
ALA A  69
ALA A 154
TYR A  84
HIS A 176
TYR A 155
1.53A21.76
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.
3TNE_A_RITA401_2
(SECRETED ASPARTIC
PROTEASE)		Ritonavir4 / 6
TYR A  28
VAL A  42
THR A  10
THR A  11
1.13A22.45
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.
5CU6_A_ACTA403_0
(CASEIN KINASE II
SUBUNIT ALPHA)		Acetic acid4 / 6
TYR A 252
VAL A 304
ASP A 303
ALA A 262
1.28A21.37
GOL  A 408 (-4.6A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid5 / 7
LEU A 124
ARG A 167
MET A 170
THR A 171
LEU A 174
1.28A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		Disopyramide5 / 12
VAL A 206
PHE A 128
PHE A 148
GLN A 175
ALA A 120
1.66A22.15
None
None
None
None
NA  A 404 ( 3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IE9_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU A 121
LEU A 124
VAL A 126
SER A 241
CYH A 261
1.65A18.97
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.
1TUV_A_VK3A4558_1
(PROTEIN YGIN)		Menadione4 / 7
HIS A 176
LEU A 133
TYR A  73
ILE A 152
1.49A16.10
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.
5ZCQ_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid6 / 8
LEU A 124
PHE A 305
ARG A 167
MET A 170
THR A 171
LEU A 174
1.49A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NJ9_K_SAMK500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		S-Adenosylmethionine3 / 3
THR A  55
GLU A  68
ASN A  14
1.32A19.63
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.
4MM9_A_FVXA603_1
(TRANSPORTER)		Fluvoxamine5 / 11
ALA A 140
TYR A 137
GLY A 101
SER A 104
GLY A 143
1.50A22.41
None
None
None
NA  A 405 ( 3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IIU_A_RTLA176_0
(PLASMA
RETINOL-BINDING
PROTEIN)		Vitamin A5 / 11
LEU A 153
LEU A 151
ALA A 130
LEU A 173
ARG A  83
1.37A21.79
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.
4NJV_A_RITA500_1
(PROTEASE)		Ritonavir5 / 12
ARG A 167
ASP A 287
GLY A 272
PRO A 249
THR A 302
1.36A15.36
None
None
None
GOL  A 409 (-4.6A)
GOL  A 409 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HFJ_E_SAME301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ASP A 230
GLY A 210
THR A 302
SER A 222
TYR A 208
1.65A20.85
None
None
GOL  A 409 (-3.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_C_CHDC3271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		Cholic Acid4 / 8
LEU A 121
GLN A 122
PHE A 128
LEU A 173
1.09A23.03
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_J_CHDJ102_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A 124
MET A 170
THR A 171
LEU A 174
1.10A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NVK_I_SAMI228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		S-Adenosylmethionine5 / 12
LYS A 280
THR A 278
PHE A  96
ALA A 289
VAL A  99
1.59A21.51
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.
6DJZ_B_GMJB301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Haloperidol5 / 12
TYR A 297
SER A 116
ILE A 277
HIS A 276
VAL A 166
1.67A17.99
None
NA  A 404 (-3.7A)
None
NA  A 404 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9F_D_CLMD221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 12
SER A 156
LEU A 173
PHE A 148
ALA A 132
HIS A 176
1.76A21.07
None
None
None
NA  A 406 (-4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CCQ_A_ACTA1317_0
(THIOREDOXIN
REDUCTASE)		Acetic acid3 / 3
LEU A  59
GLU A  78
SER A  61
1.12A22.93
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.
1ZUC_A_T98A201_1
(PROGESTERONE
RECEPTOR)		Tanaproget5 / 10
LEU A 114
GLN A 123
LEU A 124
LEU A 173
PHE A  96
1.67A21.28
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.
6NMP_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid5 / 7
LEU A 124
ARG A 167
MET A 170
THR A 171
LEU A 174
1.24A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QCA_A_FUAA221_1
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		Fusidic Acid4 / 7
THR A  35
PHE A  32
PHE A  57
LEU A  65
1.43A18.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2N_C_X2NC1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		Posaconazole5 / 12
PHE A  80
TYR A  73
ALA A 154
ALA A  87
THR A  91
1.58A20.96
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.
4UDA_A_DEXA1985_2
(MINERALOCORTICOID
RECEPTOR)		Betamethasone4 / 6
LEU A 118
LEU A 133
THR A 169
VAL A 166
1.35A21.39
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.
2Q7K_A_TESA304_1
(ANDROGEN RECEPTOR)		Testosterone5 / 12
LEU A 186
ASN A 187
LEU A 235
MET A 245
THR A 232
1.75A21.08
None
None
None
NA  A 407 (-3.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EA1_A_TPFA470_1
(CYTOCHROME P450
51-LIKE RV0764C)		Fluconazole4 / 8
PHE A 305
ARG A 184
THR A 171
LEU A 174
1.50A20.82
None
NA  A 407 (-2.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W98_A_P1ZA1352_1
(PROSTAGLANDIN
REDUCTASE 2)		Phenylbutazone4 / 7
TYR A 306
LEU A 217
ASN A 216
TYR A 311
1.78A20.81
GOL  A 408 (-4.9A)
None
None
NA  A 403 (-4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZWF_B_DAHB98_1
(TYROSINASE
MELC)		Levodopa5 / 11
ILE A 286
HIS A 273
VAL A 166
SER A 115
ASP A 303
1.60A21.79
15.79
None
BME  A 402 (-3.9A)
None
NA  A 405 (-2.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H4O_B_BEZB1162_0
(PEROXIREDOXIN 5)		Benzoic Acid4 / 8
THR A  35
PRO A  34
GLY A  33
THR A  27
1.17A19.52
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.
3DTU_D_CUD3_0
(CYTOCHROME C OXIDASE
SUBUNIT 2)		Copper3 / 3
CYH A 227
CYH A 193
HIS A 192
1.33A22.85
 ZN  A 401 (-2.3A)
ZN  A 401 (-2.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA471_1
(CYTOCHROME P450 51)		Estriol4 / 8
TYR A  73
ARG A  83
HIS A 176
LEU A 133
1.51A20.82
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.
3VW1_D_CVID301_1
(PUTATIVE REGULATORY
PROTEIN)		Gentian Violet3 / 3
TYR A 214
MET A 170
LEU A 124
1.41A21.00
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.
4W5Q_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 4
PHE A 128
VAL A 126
ALA A 177
PHE A 242
1.61A17.93
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.
2WUZ_A_TPFA1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE
, PUTATIVE)		Fluconazole5 / 10
PHE A  80
ALA A 150
THR A  91
LEU A 114
VAL A 160
1.66A22.15
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.
5VLM_A_CVIA301_0
(REGULATORY PROTEIN
TETR)		Gentian Violet5 / 12
ALA A 154
SER A 156
GLU A 168
LEU A 173
ASP A 165
1.55A18.13
None
None
None
None
GOL  A 409 (-3.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_J_CHDJ3060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		Cholic Acid5 / 6
LEU A 124
ARG A 167
MET A 170
THR A 171
LEU A 174
1.12A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2R2V_C_ACTC36_0
(GCN4 LEUCINE ZIPPER)		Acetic acid5 / 10
TYR A  84
ALA A 150
ALA A  87
SER A  86
TYR A  36
1.71A8.07
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.
5LW1_B_ADNB401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		Adenosine5 / 9
GLY A 161
VAL A 160
ALA A  87
ILE A 152
LEU A 114
1.44A21.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1M_A_CAMA1422_0
(CYTOCHROME P450-CAM)		Camphor4 / 7
PHE A 305
THR A 302
VAL A 166
THR A 171
1.41A21.67
None
GOL  A 409 (-3.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q1Y_A_017A106_1
(ASPARTYL PROTEASE)		Darunavir5 / 10
LEU A 121
ALA A 140
ASP A 144
ILE A 105
VAL A 117
1.25A15.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E8Q_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 150
LEU A 133
PHE A 148
THR A 169
LEU A 121
1.44A19.75
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.
5IEO_A_VDYA206_1
(CDL2.3A)		Calcidiol5 / 12
LEU A 133
PHE A 148
LEU A 124
PHE A 128
THR A 169
1.57A19.87
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.
5HFJ_F_SAMF301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ASP A 230
GLY A 210
SER A 246
SER A 222
TYR A 208
1.68A20.85
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.
5ZCQ_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A 121
GLN A 122
PHE A 128
LEU A 173
1.18A23.03
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		Baclofen4 / 8
SER A 156
HIS A 172
TYR A 113
GLU A 168
1.63A21.97
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.
2QD4_B_CHDB927_0
(FERROCHELATASE)		Cholic Acid3 / 3
LEU A  59
PRO A  60
ARG A  83
0.97A20.80
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.
2QAK_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP A  23
THR A  35
PRO A  34
1.19A16.01
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.
4DAJ_B_0HKB2000_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR M3,
LYSOZYME)		Tiotropium3 / 3
ASN A  14
LEU A  65
PHE A   9
0.90A22.43
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.
4APJ_A_ACTA1635_0
(ANGIOTENSIN-CONVERTI
NG ENZYME
BRADYKININ-POTENTIAT
ING PEPTIDE B)		Acetic acid4 / 6
HIS A  18
GLU A  68
ASP A  13
PRO A  60
1.67A19.25
2.84
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.
3WG7_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
LEU A 212
TYR A 297
ARG A 285
THR A 278
1.63A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_J_CHDJ60_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid5 / 6
LEU A 124
ARG A 167
MET A 170
THR A 171
LEU A 174
1.12A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TDR_A_MTXA170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA A 154
LEU A 133
PHE A 148
THR A 169
LEU A 121
1.42A19.75
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.
2FK8_A_SAMA302_1
(METHOXY MYCOLIC ACID
SYNTHASE 4)		S-Adenosylmethionine3 / 3
SER A 115
THR A 278
GLN A 123
1.07A22.79
 NA  A 405 (-2.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MXO_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Bosutinib5 / 12
LEU A 114
VAL A 117
MET A 207
GLY A 164
ASP A 303
1.45A22.57
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.
2V0M_A_KLNA1500_1
(CYTOCHROME P450 3A4)		Ketoconazole5 / 11
PHE A 242
LEU A 151
PHE A 148
ALA A 140
LEU A 121
1.65A20.87
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.
6NMF_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
LEU A 124
ARG A 167
MET A 170
THR A 171
1.44A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCO_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A 121
GLN A 122
PHE A 128
LEU A 173
1.20A23.03
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		Cefixime3 / 3
GLY A 164
GLU A 168
THR A 169
1.18A20.75
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.
1DYI_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 154
LEU A 133
PHE A 148
THR A 169
LEU A 121
1.48A19.75
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.
5IY5_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid5 / 7
LEU A 124
ARG A 167
MET A 170
THR A 171
LEU A 174
1.15A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5H_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 150
LEU A 133
PHE A 148
THR A 169
LEU A 121
1.50A19.44
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.
5IY5_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A 121
GLN A 122
PHE A 128
LEU A 173
1.20A23.05
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid6 / 8
LEU A 124
PHE A 305
ARG A 167
MET A 170
THR A 171
LEU A 174
1.47A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HK3_A_T44A3004_1
(SERUM ALBUMIN)		Levothyroxine4 / 7
GLU A 180
LEU A 179
VAL A 206
LEU A 200
1.21A18.71
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.
3AG3_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 8
LEU A 124
ARG A 167
MET A 170
THR A 171
LEU A 174
1.14A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F3T_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
LEU A 133
TYR A  72
LEU A 151
TYR A 155
1.63A17.93
None
NA  A 406 (-4.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ITY_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib6 / 12
LEU A 114
VAL A 117
MET A 207
LEU A 174
GLY A 164
ASP A 303
1.77A21.29
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.
4G8Z_X_TOPX301_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 10
ILE A 152
ALA A 150
PHE A 148
PRO A 131
THR A  91
1.66A20.19
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.
2DYS_J_CHDJ101_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 6
LEU A 124
ARG A 167
MET A 170
THR A 171
LEU A 174
1.11A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCO_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid5 / 8
LEU A 124
PHE A 305
MET A 170
THR A 171
LEU A 174
1.44A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A 124
MET A 170
THR A 171
LEU A 174
1.07A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		Cladribine3 / 3
ASP A 144
PHE A  96
LEU A 118
1.44A22.90
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.
6FGD_A_ACTA823_0
(GEPHYRIN)		Acetic acid3 / 3
LEU A 200
ALA A 205
GLU A 204
1.01A21.75
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.
3DAU_A_MTXA201_2
(DIHYDROFOLATE
REDUCTASE)		Methotrexate3 / 3
SER A  25
ILE A   6
THR A  10
0.98A19.75
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.
4K38_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		S-Adenosylmethionine5 / 12
PHE A 242
GLN A 122
LEU A 118
VAL A 117
LEU A 174
1.59A21.11
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.
3V4T_A_ACTA504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid3 / 3
THR A  11
VAL A  58
GLU A  68
1.11A20.00
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.
5M5C_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel6 / 10
VAL A 243
GLU A 308
LEU A 200
ALA A 205
SER A 240
THR A 197
1.74A22.00
 NA  A 407 (-4.1A)
None
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IWK_A_CUA1599_0
(NITROUS OXIDE
REDUCTASE)		Copper3 / 3
CYH A 227
CYH A 190
HIS A 192
1.35A19.72
 ZN  A 401 (-2.3A)
ZN  A 401 (-2.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PCQ_A_PQNA847_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		Phylloquinone5 / 9
PHE A  57
GLY A  82
ALA A 150
LEU A  88
GLY A  39
1.07A17.52
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		Amitriptyline5 / 12
VAL A 203
PHE A 128
PHE A 148
LEU A 133
HIS A 172
1.54A22.15
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.
4P66_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 11
ALA A 146
LEU A 118
LEU A 173
TYR A  84
THR A  91
1.72A19.69
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.
5B1B_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
ARG A 167
MET A 170
THR A 171
LEU A 174
0.87A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG3_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 7
LEU A 124
ARG A 167
MET A 170
THR A 171
LEU A 174
1.20A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZJ8_A_SUVA2001_1
(HUMAN OX1R FUSION
PROTEIN TO P.ABYSII
GLYCOGEN SYNTHASE)		Suvorexant5 / 12
ALA A 289
SER A 104
VAL A  99
GLU A 264
ASN A 263
1.76A20.36
None
NA  A 405 ( 3.9A)
None
None
NA  A 404 (-2.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 150
LEU A 133
PHE A 148
THR A 169
LEU A 121
1.42A19.44
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.
3L4D_A_TPFA490_1
(STEROL 14-ALPHA
DEMETHYLASE)		Fluconazole6 / 8
TYR A  72
PHE A  80
TYR A  73
ALA A 154
ALA A 150
THR A  91
1.77A19.65
 NA  A 406 (-4.9A)
None
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2P4N_B_TA1B601_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
ASP A 165
LEU A 254
PHE A 305
THR A 278
ARG A 285
1.23A21.79
GOL  A 409 (-3.1A)
GOL  A 408 (-4.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JB0_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		Phylloquinone5 / 9
PHE A  57
GLY A  82
ALA A 150
LEU A  88
GLY A  39
1.07A17.52
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.
5HNZ_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
ASP A 165
LEU A 254
PHE A 305
THR A 278
ARG A 285
1.20A21.70
GOL  A 409 (-3.1A)
GOL  A 408 (-4.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HNY_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
ASP A 165
LEU A 254
PHE A 305
THR A 278
ARG A 285
1.18A22.00
GOL  A 409 (-3.1A)
GOL  A 408 (-4.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_A_RTZA2_1
(CYTOCHROME P450 2D6)		Thioridazine5 / 11
LEU A 179
VAL A 203
LEU A 173
VAL A 166
PHE A 148
1.49A21.88
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.
4UXQ_A_0LIA1752_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		Ponatinib5 / 12
LEU A 102
LEU A  88
LEU A 118
ALA A 145
ASP A 144
1.39A19.55
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.
1Z95_A_198A501_2
(ANDROGEN RECEPTOR)		Bicalutamide4 / 6
LEU A 133
LEU A 114
LEU A 121
ILE A 105
1.35A20.90
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.
4G3R_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 6
PHE A 305
LEU A 174
VAL A 206
ASP A 303
1.50A21.44
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.
4XK8_A_PQNA845_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		Phylloquinone4 / 8
PHE A  57
ALA A 150
LEU A  88
GLY A  39
1.00A17.09
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.
2V0Z_O_C41O1327_2
(RENIN)		Aliskiren4 / 8
SER A  86
TYR A  36
LEU A  65
THR A  91
1.30A22.10
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.
3DCJ_B_THHB401_0
(PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN)		Levomefolic acid5 / 8
SER A 116
ASN A 263
THR A 266
VAL A 166
GLY A 164
1.64A21.45
 NA  A 404 (-3.7A)
NA  A 404 (-2.6A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
LEU A 121
GLN A 122
PHE A 128
LEU A 173
1.14A23.03
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib5 / 12
PHE A 305
VAL A 126
ALA A 177
LEU A 173
PHE A 148
1.27A22.74
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		Triamterene4 / 8
SER A 116
ASP A 165
TYR A 274
LEU A 212
1.45A18.62
 NA  A 404 (-3.7A)
GOL  A 409 (-3.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L2I_B_CCSB417_0
(ESTROGEN RECEPTOR)		Carbocisteine4 / 6
PHE A  32
GLN A  31
LYS A  46
VAL A  42
1.52A22.96
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.
2X45_A_HSMA1160_1
(ALLERGEN ARG R 1)		Histamine4 / 6
SER A 213
TYR A 306
VAL A 243
ASP A 215
1.63A19.81
None
GOL  A 408 (-4.9A)
NA  A 407 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XOY_A_DX4A401_0
(MITOGEN-ACTIVATED
PROTEIN KINASE 1)		Tioguanine4 / 6
ALA A 205
GLN A 238
LEU A 200
LEU A 217
1.61A20.16
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.
1G50_B_ESTB1600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 12
LEU A 124
LEU A 173
LEU A 174
HIS A 276
LEU A 118
1.71A23.75
None
None
None
NA  A 404 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A3Y_A_OBNA6000_1
(NA, K-ATPASE ALPHA
SUBUNIT)		Ouabain5 / 10
VAL A  42
ALA A  40
PHE A  57
LEU A  81
THR A  35
1.77A14.49
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.
1XOZ_A_CIAA501_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Tadalafil5 / 12
ILE A 286
ILE A 277
PHE A 305
LEU A 124
GLN A 123
1.29A22.06
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.
4G1B_D_ECND403_1
(FLAVOHEMOGLOBIN)		Econazole6 / 12
PHE A 128
TYR A 137
PHE A 148
GLN A 122
LEU A 124
LEU A 174
1.65A24.48
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.
2FR3_A_REAA300_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
2)		Tretinoin6 / 12
PHE A 148
LEU A 133
ALA A 136
ALA A 140
THR A  91
LEU A 114
1.77A17.86
None
None
NA  A 406 ( 3.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIK_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
LEU A 121
GLN A 122
PHE A 128
LEU A 173
1.13A23.03
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_E_CVIE301_1
(REGULATORY PROTEIN
TETR)		Gentian Violet4 / 7
GLN A 233
GLY A 220
TYR A 252
ASP A 215
1.30A18.13
None
None
GOL  A 408 (-4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OPJ_A_STIA3_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 5
TYR A 274
VAL A  99
ILE A 105
MET A 170
1.62A23.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OR0_B_NPSB602_1
(SERUM ALBUMIN)		Naproxen5 / 9
ALA A 120
LEU A 102
LEU A 121
SER A 241
VAL A 126
1.60A20.40
 NA  A 404 ( 3.8A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWU_A_SREA801_1
(TRANSPORTER)		Sertraline5 / 12
LEU A 151
GLN A 175
ALA A 177
PHE A 128
LEU A 121
1.26A21.38
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.
1DMY_A_AZMA400_1
(MURINE CARBONIC
ANHYDRASE V)		Acetazolamide5 / 11
VAL A 221
TYR A 208
LEU A 217
LEU A 186
THR A 198
1.42A21.62
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.
3AG1_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1)		Cholic Acid4 / 5
ARG A 167
MET A 170
THR A 171
LEU A 174
0.72A11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q7I_A_TESA205_1
(ANDROGEN RECEPTOR)		Testosterone5 / 12
LEU A 186
ASN A 187
LEU A 235
MET A 245
THR A 232
1.75A21.08
None
None
None
NA  A 407 (-3.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		L-Cysteine5 / 8
ALA A 154
HIS A 172
ASN A 157
ARG A  83
HIS A 176
1.69A20.94
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.
5M8R_B_MMSB514_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		Mimosine4 / 8
ASN A  16
HIS A  18
LEU A  17
VAL A  12
1.42A19.39
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.
5X1F_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
ARG A 167
MET A 170
THR A 171
LEU A 174
0.47A11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HQB_A_PQNA2001_0
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 10
GLY A  82
ARG A  83
ALA A 154
LEU A 153
LEU A 102
1.41A17.90
7.12
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.
3SFE_C_TMGC1_1
(SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
CYTOCHROME B560
SUBUNIT,
MITOCHONDRIAL)		Thiabendazole4 / 8
HIS A 276
ILE A 286
SER A 104
ILE A 105
1.56A22.56
15.64
 NA  A 404 (-3.7A)
None
NA  A 405 ( 3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MX1_C_THAC3_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 12
VAL A 206
LEU A 179
LEU A 173
MET A 244
PHE A 305
1.28A20.11
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.
3O01_B_DXCB1_0
(CELL INVASION
PROTEIN SIPD)		Deoxycholic Acid5 / 9
ASN A  89
ALA A  87
LEU A 114
ASN A 111
VAL A 160
1.62A22.67
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.
2X2I_B_QPSB1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		Acarbose5 / 12
VAL A 117
ASN A 263
ASP A 303
MET A 244
HIS A 172
1.69A14.85
None
NA  A 404 (-2.6A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WRL_B_TFPB203_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Trifluoperazine4 / 6
VAL A 126
LEU A 121
MET A 207
SER A 246
1.39A13.53
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.
3UT5_D_LOCD502_1
(TUBULIN BETA CHAIN)		Colchicine5 / 12
CYH A 149
LEU A 151
LEU A  88
ASN A  89
LYS A  93
1.44A22.25
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.
2OIP_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		Methotrexate5 / 12
ALA A 150
LEU A 133
PHE A 148
THR A 169
LEU A 121
1.54A20.11
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.
1MUO_A_ADNA1_1
(AURORA-RELATED
KINASE 1)		Adenosine5 / 9
LEU A 179
VAL A 203
ALA A 177
LEU A 121
LEU A 124
1.54A20.60
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.
3G1U_B_ADNB438_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
THR A 292
GLU A 264
HIS A 273
1.52A21.63
None
None
BME  A 402 (-3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1)		Cholic Acid4 / 5
ARG A 167
MET A 170
THR A 171
LEU A 174
0.55A11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B58_A_ACTA608_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		Acetic acid3 / 3
GLY A 161
THR A 159
GLU A 162
1.69A19.76
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.
5B3S_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A 121
GLN A 122
PHE A 128
LEU A 173
1.21A23.03
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABM_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid6 / 8
LEU A 124
PHE A 305
ARG A 167
MET A 170
THR A 171
LEU A 174
1.49A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
TYR A  28
THR A  10
ALA A  40
GLY A  53
HIS A  51
1.56A24.49
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.
3HJ3_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		Methotrexate5 / 12
ALA A 150
LEU A 133
PHE A 148
THR A 169
LEU A 121
1.49A20.42
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.
4WOZ_F_MN9F401_0
(N-ACETYLNEURAMINATE
LYASE)		N-Acetyl-D-glucosamine4 / 5
LEU A  59
TYR A  36
LEU A  81
THR A  43
1.57A20.35
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.
3ABK_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid6 / 8
LEU A 124
PHE A 305
ARG A 167
MET A 170
THR A 171
LEU A 174
1.47A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib5 / 12
PHE A 305
VAL A 126
ALA A 177
LEU A 173
PHE A 148
1.25A22.74
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.
3D91_A_REMA350_2
(RENIN)		Remikiren4 / 5
ALA A 120
ALA A 279
TYR A 284
MET A 294
1.55A22.37
 NA  A 404 ( 3.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MME_A_29QA603_1
(TRANSPORTER)		Mazindol5 / 9
TYR A  84
VAL A  12
ALA A  69
TYR A  72
PHE A  57
1.62A22.26
None
None
None
NA  A 406 (-4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UUN_B_ACTB309_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid3 / 3
TYR A  84
ALA A 132
TYR A  73
1.27A20.86
None
NA  A 406 (-4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1)		Cholic Acid4 / 5
ARG A 167
MET A 170
THR A 171
LEU A 174
0.65A11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VCT_A_ASDA1223_1
(GLUTATHIONE
S-TRANSFERASE A2)		4-Androstenedione4 / 8
ILE A 223
ARG A 184
LEU A 217
LEU A 235
1.30A21.74
None
NA  A 407 (-2.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid4 / 7
LEU A 121
GLN A 122
PHE A 128
LEU A 173
1.08A23.03
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_J_CHDJ3060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		Cholic Acid5 / 7
LEU A 124
ARG A 167
MET A 170
THR A 171
LEU A 174
1.14A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A 124
MET A 170
THR A 171
LEU A 174
1.09A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 7
LEU A 124
PHE A 305
ARG A 167
MET A 170
THR A 171
1.57A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X1K_D_LOCD502_2
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU A 121
LEU A 119
ASN A 111
THR A  91
ALA A 145
1.51A21.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZME_A_ADNA1002_1
(MYOSIN HEAVY CHAIN
KINASE A)		Adenosine6 / 11
PHE A 242
GLY A 202
VAL A 126
LEU A 133
LEU A 121
LEU A 173
1.38A21.39
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.
4LHM_A_AZZA510_1
(THYMIDINE
PHOSPHORYLASE)		Zidovudine5 / 11
LEU A 133
TYR A 155
SER A 156
PHE A 148
LEU A 114
1.72A22.67
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.
4QVY_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 10
THR A 275
ALA A 262
THR A 278
ALA A 279
VAL A 301
1.64A21.14
22.66
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.
4KT0_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 11
PHE A  57
GLY A  82
ALA A 150
LEU A  88
GLY A  39
1.06A17.90
7.12
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.
3ZS3_A_ACTA1224_0
(THAUMATIN-LIKE
PROTEIN)		Acetic acid4 / 5
SER A 156
GLU A 168
TYR A 113
ASP A 165
1.56A22.33
None
None
None
GOL  A 409 (-3.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SPK_B_TPVB100_1
(HIV-1 PROTEASE)		Tipranavir5 / 9
LEU A  88
ASN A 147
ALA A 136
GLY A 143
THR A  91
1.36A14.43
None
NA  A 406 (-3.8A)
NA  A 406 ( 3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TF1_A_ACTA191_0
(METHYL-ACCEPTING
CHEMOTAXIS PROTEIN)		Acetic acid4 / 5
THR A 278
ILE A 277
PHE A 259
LEU A 283
1.55A18.05
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.
2WBE_B_TA1B1439_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
ASP A 165
LEU A 254
PHE A 305
THR A 278
ARG A 285
1.23A21.79
GOL  A 409 (-3.1A)
GOL  A 408 (-4.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NVK_J_SAMJ228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		S-Adenosylmethionine5 / 12
LYS A  54
GLY A  39
ALA A  40
ALA A 150
ASP A  38
1.35A21.17
21.51
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.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)		Parecoxib3 / 3
PRO A 131
GLU A  68
TYR A  72
1.03A21.88
None
None
NA  A 406 (-4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HXH_B_TA1B601_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
ASP A 165
LEU A 254
PHE A 305
THR A 278
ARG A 285
1.23A21.79
GOL  A 409 (-3.1A)
GOL  A 408 (-4.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PW7_C_RABC647_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		Vidarabine5 / 9
VAL A   3
GLU A   2
MET A   1
SER A  25
ILE A   6
1.70A21.18
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.
1WRL_C_TFPC208_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Trifluoperazine4 / 5
PHE A 128
LEU A 174
PHE A 148
SER A 116
1.33A13.53
None
None
None
NA  A 404 (-3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKV_A_AERA601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Abiraterone4 / 5
TYR A  84
LEU A  59
ASP A  41
VAL A  22
1.57A20.77
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.
4X5F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 150
LEU A 133
PHE A 148
THR A 169
LEU A 121
1.48A19.44
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.
2EIN_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid6 / 8
LEU A 124
PHE A 305
ARG A 167
MET A 170
THR A 171
LEU A 174
1.41A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q64_B_1UNB1001_4
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP A  23
THR A  35
PRO A  34
1.17A15.69
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.
4ZN7_A_DESA601_1
(ESTROGEN RECEPTOR)		Diethylstilbestrol5 / 12
MET A 170
LEU A 173
ALA A 177
MET A 244
LEU A 179
1.30A22.02
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.
3GP0_A_NILA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		Nilotinib5 / 12
LEU A 119
ILE A 105
HIS A 273
ALA A 108
ASP A 287
1.30A22.62
None
None
BME  A 402 (-3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		Parachlorophenol4 / 7
THR A 159
ASN A 110
TYR A 113
LEU A 163
1.80A23.30
None
BME  A 402 (-4.3A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CSW_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib5 / 12
PHE A 305
VAL A 126
ALA A 177
LEU A 173
PHE A 148
1.24A22.48
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.
5UUN_A_ACTA307_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid4 / 4
LEU A 174
LEU A 179
SER A 241
ALA A 182
1.64A20.86
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.
3N61_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE)		Sapropterin4 / 7
PHE A 305
SER A 241
VAL A 126
VAL A 206
1.70A23.62
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.
4IKL_B_SUZB201_1
(TRANSTHYRETIN)		Sulindac4 / 8
SER A 240
LEU A 121
ALA A 177
LEU A 124
1.20A21.25
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.
5QGT_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A 189
TYR A 234
GLN A 233
1.21A20.67
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.
4X1G_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		Ethinyl Estradiol5 / 12
LEU A 153
LEU A 114
HIS A 172
LEU A 173
ILE A 152
1.31A21.75
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.
2X2N_D_X2ND1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		Posaconazole5 / 12
ILE A   6
ALA A 140
ALA A 145
THR A  91
LEU A  88
1.49A20.96
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.
3ASO_W_CHDW1059_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid6 / 8
LEU A 124
PHE A 305
ARG A 167
MET A 170
THR A 171
LEU A 174
1.46A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OLT_A_SAMA502_0
(OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE)		S-Adenosylmethionine5 / 9
GLY A 100
PHE A  96
GLN A  98
LEU A 118
ILE A 105
1.71A21.26
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.
2VD0_B_D27B1200_0
(GLUTATHIONE-REQUIRIN
G PROSTAGLANDIN D
SYNTHASE)		Tranilast5 / 10
ARG A 285
ALA A 289
TYR A 297
THR A 278
LEU A 119
1.79A17.87
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.
1S9P_C_DESC500_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		Diethylstilbestrol5 / 12
CYH A 149
MET A 170
LEU A 173
TYR A 137
ILE A 105
1.28A22.09
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.
5ZCP_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A 124
MET A 170
THR A 171
LEU A 174
1.06A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		Gabapentin4 / 8
TYR A 137
GLY A 143
ALA A 140
ALA A 145
1.05A21.63
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.
2W8Y_A_486A1000_1
(PROGESTERONE
RECEPTOR)		Mifepristone5 / 12
LEU A 121
GLY A 143
PHE A 128
LEU A 133
CYH A 149
1.58A21.28
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.
3BSZ_F_RTLF178_0
(PLASMA
RETINOL-BINDING
PROTEIN)		Vitamin A5 / 11
ALA A 262
PHE A 259
MET A 245
TYR A 214
GLN A 238
1.73A21.18
None
None
NA  A 407 (-3.2A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROD_C_NCAC302_0
(NICOTINAMIDE
N-METHYLTRANSFERASE)		Nicotinamide5 / 10
TYR A  73
ALA A 150
ALA A 136
TYR A  84
TYR A  72
1.78A21.79
None
None
NA  A 406 ( 3.7A)
None
NA  A 406 (-4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6K_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
MET A 170
ASP A 303
ARG A 184
1.70A19.44
None
None
NA  A 407 (-2.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FAL_A_REAA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Tretinoin5 / 10
ILE A 105
ALA A 108
PHE A  96
VAL A 117
ILE A 152
1.63A21.75
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.
6DCH_A_ACTA401_0
(SCOE PROTEIN)		Acetic acid4 / 5
THR A 266
HIS A 273
ASP A 287
ARG A 285
1.55A21.29
None
BME  A 402 (-3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D4S_A_TPVA201_2
(PROTEIN (HIV-1
PROTEASE))		Tipranavir4 / 8
LEU A 124
ALA A 177
ILE A 152
VAL A 126
0.99A15.36
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.
3AG2_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
LEU A 121
GLN A 122
PHE A 128
LEU A 173
1.12A23.03
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.
6BQG_A_ERMA1201_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562)		Ergotamine5 / 12
SER A 241
VAL A 203
GLY A 202
ALA A 182
ASN A 263
1.29A22.81
None
None
None
None
NA  A 404 (-2.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL9_A_DR7A100_1
(PROTEASE)		Atazanavir5 / 8
ARG A 167
ASP A 287
GLY A 272
PRO A 249
THR A 302
1.29A15.03
None
None
None
GOL  A 409 (-4.6A)
GOL  A 409 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid4 / 8
LEU A 121
GLN A 122
PHE A 128
LEU A 173
1.10A23.03
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OHT_A_1N1A1000_1
(P38A)		Dasatinib6 / 12
VAL A 203
GLY A 202
VAL A 206
LEU A 260
ASN A 129
LEU A 124
1.73A21.36
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		Ketoconazole5 / 12
TYR A  72
PHE A  80
TYR A  73
ALA A 154
ALA A 150
1.34A22.34
 NA  A 406 (-4.9A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OGC_B_TA1B601_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
ASP A 165
LEU A 254
PHE A 305
THR A 278
ARG A 285
1.27A21.79
GOL  A 409 (-3.1A)
GOL  A 408 (-4.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F9W_A_PAUA6001_0
(PANTOTHENATE KINASE)		Pantothenic acid5 / 11
ASN A  14
GLY A  39
ASP A  38
THR A  11
THR A  35
1.72A22.38
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.
4PST_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 150
LEU A 133
PHE A 148
THR A 169
LEU A 121
1.49A19.75
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.
2YHD_A_TESA1920_1
(ANDROGEN RECEPTOR)		Testosterone5 / 12
LEU A  81
LEU A  88
GLY A  39
ARG A 139
THR A  35
1.69A21.08
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.
5M66_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 4
GLN A  20
THR A  19
GLU A  52
LEU A  37
1.66A21.23
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.
2C12_B_SPMB1433_1
(NITROALKANE OXIDASE)		Spermine5 / 11
VAL A  12
ALA A  69
SER A  61
LEU A  59
VAL A  58
1.63A21.52
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.
2EIN_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 6
ARG A 167
MET A 170
THR A 171
LEU A 174
0.65A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OAX_B_SNLB2001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU A 114
LEU A 121
LEU A 151
THR A  91
PHE A  96
1.58A19.88
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		Vidarabine5 / 12
LEU A 124
LEU A 179
LEU A 174
MET A 244
PHE A 305
1.76A19.96
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.
2ZWE_B_DAHB98_1
(TYROSINASE
MELC)		Levodopa5 / 11
ILE A 286
HIS A 273
VAL A 166
SER A 115
ASP A 303
1.61A21.79
15.79
None
BME  A 402 (-3.9A)
None
NA  A 405 (-2.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7C_A_HLTA4007_1
(SERUM ALBUMIN)		Halothane4 / 8
HIS A 276
ASN A 263
LEU A 118
LEU A 119
1.13A18.71
 NA  A 404 (-3.7A)
NA  A 404 (-2.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		Fludarabine5 / 12
ASN A 111
LEU A 119
GLY A 164
VAL A 166
GLY A 272
1.37A19.34
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.
4XV2_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib5 / 12
PHE A 305
VAL A 126
ALA A 177
LEU A 173
PHE A 148
1.30A22.19
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.
5B1B_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A 121
GLN A 122
PHE A 128
LEU A 173
1.17A23.03
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DTU_B_CUB1022_0
(CYTOCHROME C OXIDASE
SUBUNIT 2)		Copper3 / 3
CYH A 227
CYH A 193
HIS A 192
1.35A22.85
 ZN  A 401 (-2.3A)
ZN  A 401 (-2.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WYQ_A_SAMA401_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine6 / 12
LEU A 102
PRO A  97
SER A 104
ILE A 286
LEU A 291
GLY A 101
1.66A18.90
None
None
NA  A 405 ( 3.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ARG A 167
MET A 170
THR A 171
LEU A 174
0.91A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NX7_A_FOLA202_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 150
LEU A 133
PHE A 148
THR A 169
LEU A 121
1.46A19.75
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.
2EIJ_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid6 / 8
LEU A 124
PHE A 305
ARG A 167
MET A 170
THR A 171
LEU A 174
1.48A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UPR_C_1KXC277_2
(HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-57 ALPHA
CHAIN
PEP-V)		Abacavir3 / 3
ILE A 223
LEU A 186
VAL A 236
0.96A2.82
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.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 12
PHE A  32
ASN A  14
ASP A  38
LEU A  37
GLY A  39
1.70A19.94
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.
3D90_B_NOGB2001_1
(PROGESTERONE
RECEPTOR)		Levonorgestrel5 / 12
LEU A 102
LEU A 118
LEU A 114
LEU A 173
LEU A 124
1.57A21.57
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.
3X2Q_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A 121
GLN A 122
PHE A 128
LEU A 173
1.19A23.03
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		Alectinib5 / 10
ARG A 139
ALA A 150
VAL A 160
LEU A 153
LEU A  88
1.38A22.22
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.
1G5Y_C_9CRC502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 10
ALA A  69
SER A  86
LEU A 151
ALA A 154
PHE A  57
1.59A22.03
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.
2YLO_A_TESA1920_1
(ANDROGEN RECEPTOR)		Testosterone5 / 12
LEU A 186
ASN A 187
LEU A 235
MET A 245
THR A 232
1.67A21.08
None
None
None
NA  A 407 (-3.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 6
LEU A 124
ARG A 167
MET A 170
THR A 171
LEU A 174
1.12A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FML_A_RTLA401_0
(RETINOL DEHYDRATASE)		Vitamin A5 / 12
TYR A 138
TYR A 137
LEU A 151
TYR A  72
PHE A  57
1.59A20.69
None
None
None
NA  A 406 (-4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0J_B_DAHB98_0
(MELC
TYROSINASE)		Levodopa5 / 11
ILE A 286
VAL A 166
SER A 115
HIS A 276
ASP A 303
1.76A21.79
16.10
None
None
NA  A 405 (-2.9A)
NA  A 404 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OAX_A_SNLA1001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU A 114
LEU A 121
LEU A 151
THR A  91
PHE A  96
1.53A19.88
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.
1DY5_A_ACTA600_0
(RIBONUCLEASE A)		Acetic acid4 / 4
HIS A 276
VAL A 301
ASN A 263
THR A 275
1.40A17.59
 NA  A 404 (-3.7A)
None
NA  A 404 (-2.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WA2_A_SAMA1248_0
(NON-STRUCTURAL
PROTEIN 5)		S-Adenosylmethionine5 / 12
GLY A 210
SER A 222
THR A 211
LEU A 212
ASP A 303
1.35A21.36
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.
4YVG_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine6 / 12
LEU A 102
PRO A  97
SER A 104
ILE A 286
LEU A 291
GLY A 101
1.64A21.41
None
None
NA  A 405 ( 3.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XP3_A_DX4A401_0
(MITOGEN-ACTIVATED
PROTEIN KINASE 1)		Tioguanine4 / 6
ALA A 205
GLN A 238
LEU A 200
LEU A 217
1.59A20.16
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.
4NQA_A_9CRA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 11
ILE A 152
ALA A 150
PHE A 148
LEU A 114
HIS A 176
1.63A20.16
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.
1WOP_A_FFOA2888_0
(AMINOMETHYLTRANSFERA
SE)		Levoleucovorin5 / 10
LEU A 121
ILE A 152
GLU A 180
LEU A 174
MET A 170
1.72A21.48
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.
3ZQT_A_TESA1000_1
(ANDROGEN RECEPTOR)		Testosterone5 / 12
LEU A 186
ASN A 187
LEU A 235
MET A 245
THR A 232
1.71A21.08
None
None
None
NA  A 407 (-3.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		Dronabinol4 / 5
TYR A 137
GLN A 122
ILE A 286
LEU A 119
1.69A19.41
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.
4LJ0_A_ACTA505_0
(NAB2)		Acetic acid3 / 3
LEU A 153
LYS A 158
THR A 159
1.41A13.24
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.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		Warfarin5 / 12
PHE A 148
ALA A 145
PHE A  96
LEU A 114
LEU A 173
1.41A21.71
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.
3M7R_A_VDXA425_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU A 121
LEU A 124
VAL A 126
SER A 241
CYH A 261
1.61A20.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMD_B_29EB603_1
(TRANSPORTER)		Duloxetine5 / 12
ALA A 140
TYR A 137
GLY A 101
SER A 104
GLY A 143
1.48A22.26
None
None
None
NA  A 405 ( 3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X19_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
ARG A 167
MET A 170
THR A 171
LEU A 174
1.03A11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M5C_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel6 / 12
VAL A 243
GLU A 308
LEU A 200
ALA A 205
SER A 240
THR A 197
1.75A22.00
 NA  A 407 (-4.1A)
None
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1O86_A_LPRA702_2
(ANGIOTENSIN
CONVERTING ENZYME)		Lisinopril4 / 4
SER A 246
VAL A 301
PHE A 305
VAL A 117
1.76A19.25
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.
3WG7_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ARG A 167
MET A 170
THR A 171
LEU A 174
0.80A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YQZ_A_SAMA301_0
(HYPOTHETICAL PROTEIN
TTHA0223)		S-Adenosylmethionine5 / 12
GLY A  82
LEU A  88
ALA A  40
ASP A  41
VAL A  12
1.29A21.36
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.
6F88_B_STRB502_1
(CYTOCHROME P450
CYP260A1)		Progesterone4 / 6
LEU A 151
ALA A 136
LEU A  81
THR A  11
1.40A22.44
None
NA  A 406 ( 3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIK_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid6 / 7
LEU A 124
PHE A 305
ARG A 167
MET A 170
THR A 171
LEU A 174
1.45A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEO_A_VDYA206_2
(CDL2.3A)		Calcidiol4 / 8
ILE A 152
LEU A 174
TYR A 137
LEU A 118
1.23A19.87
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.
2BXG_A_IBPA2001_1
(SERUM ALBUMIN)		Ibuprofen5 / 11
LEU A 124
VAL A 203
GLY A 202
ALA A 177
LEU A 174
1.36A18.71
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.
3KK6_A_CELA701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		Celecoxib5 / 6
HIS A 176
VAL A 117
SER A 156
LEU A  88
LEU A 114
1.55A18.96
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.
3BPX_A_SALA257_1
(TRANSCRIPTIONAL
REGULATOR)		Salicylic acid4 / 8
ALA A 146
CYH A 149
ILE A 105
THR A  91
1.39A17.39
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.
5KVA_A_SAMA301_1
(CAFFEOYL-COA
O-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
THR A 275
SER A 116
ASP A 165
1.57A22.64
None
NA  A 404 (-3.7A)
GOL  A 409 (-3.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DCO_B_TA1B601_1
(BOVINE BETA TUBULIN)		Paclitaxel5 / 12
ASP A 165
LEU A 254
PHE A 305
THR A 278
ARG A 285
1.23A21.79
GOL  A 409 (-3.1A)
GOL  A 408 (-4.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AA6_B_STRB402_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
LEU A 119
ALA A 120
GLN A 123
LEU A 254
THR A 302
1.70A20.12
None
NA  A 404 ( 3.8A)
None
GOL  A 408 (-4.7A)
GOL  A 409 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		Estrone4 / 8
GLN A 238
LEU A 174
LEU A 179
THR A 201
1.54A26.47
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.
5UJX_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 150
LEU A 133
PHE A 148
THR A 169
LEU A 121
1.44A19.75
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.
1Z9Y_A_FUNA500_1
(CARBONIC ANHYDRASE
II)		Furosemide5 / 12
VAL A 206
PHE A 242
VAL A 126
LEU A 174
THR A 171
1.54A19.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N4T_B_BEZB306_0
(BETA-LACTAMASE VIM-2)		Benzoic Acid3 / 3
HIS A  74
ASN A 129
ALA A 177
1.73A20.77
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.
2DYR_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 7
LEU A 124
ARG A 167
MET A 170
THR A 171
LEU A 174
1.11A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E0F_A_RBFA301_1
(RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA)		Riboflavin5 / 11
SER A 213
VAL A 301
LEU A 212
THR A 211
ALA A 250
1.68A23.56
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.
5WAU_J_CHDJ101_1
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
ARG A 167
MET A 170
THR A 171
LEU A 174
0.77A11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AY6_A_VORA501_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		Voriconazole5 / 9
TYR A  72
PHE A  80
TYR A  73
ALA A 154
ALA A 150
1.54A22.34
 NA  A 406 (-4.9A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GGU_B_017B201_1
(PROTEASE)		Darunavir5 / 12
ARG A 167
ASP A 287
GLY A 272
PRO A 249
THR A 302
1.38A16.23
None
None
None
GOL  A 409 (-4.6A)
GOL  A 409 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X1Y_D_LOCD502_2
(TUBULIN BETA CHAIN)		Colchicine5 / 12
CYH A 149
LEU A 151
LEU A  88
ASN A  89
LYS A  93
1.41A21.70
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.
5MXW_A_ML1A218_1
(CLASS 10 PLANT
PATHOGENESIS-RELATED
PROTEIN)		Melatonin5 / 11
VAL A 166
LEU A 163
TYR A 274
TYR A 265
THR A 302
1.68A19.63
None
None
None
GOL  A 409 (-3.9A)
GOL  A 409 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IKK_A_SUZA201_1
(TRANSTHYRETIN)		Sulindac4 / 8
LEU A 121
ALA A 177
LEU A 124
SER A 240
1.22A21.25
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.
1OC3_A_BEZA201_0
(PEROXIREDOXIN 5)		Benzoic Acid4 / 8
THR A  35
PRO A  34
GLY A  33
THR A  27
1.14A19.22
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.
5KB5_A_ADNA401_2
(ADENOSINE KINASE)		Adenosine4 / 4
ASN A  89
LEU A  88
SER A  86
LEU A 153
1.75A19.95
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.
1UAK_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine6 / 12
LEU A 102
PRO A  97
SER A 104
ILE A 286
LEU A 291
GLY A 101
1.63A23.05
None
None
NA  A 405 ( 3.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N4T_A_BEZA507_0
(BETA-LACTAMASE VIM-2)		Benzoic Acid3 / 3
THR A 169
HIS A 172
ASN A 157
1.46A20.77
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.
1KT5_A_RTLA176_0
(PLASMA
RETINOL-BINDING
PROTEIN)		Vitamin A5 / 12
LEU A 153
LEU A 151
ALA A 130
LEU A 173
ARG A  83
1.37A19.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		Amitriptyline5 / 12
VAL A 203
PHE A 128
PHE A 148
LEU A 133
HIS A 172
1.52A22.15
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.
1PCG_A_ESTA1_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU A 124
LEU A 173
LEU A 174
HIS A 276
LEU A 118
1.64A23.90
None
None
None
NA  A 404 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MMT_A_H4BA1426_1
(PHENYLALANINE-4-HYDR
OXYLASE)		Sapropterin5 / 11
VAL A   8
LEU A  17
LEU A  81
THR A  19
GLU A  68
1.70A20.92
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.
3LOQ_A_ACTA278_0
(UNIVERSAL STRESS
PROTEIN)		Acetic acid3 / 3
SER A 104
GLY A 288
SER A 116
1.05A20.12
 NA  A 405 ( 3.9A)
NA  A 405 (-3.8A)
NA  A 404 (-3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QJU_A_DSMA801_1
(TRANSPORTER)		Desipramine5 / 11
LEU A 151
GLN A 175
ALA A 177
PHE A 128
LEU A 121
1.23A20.19
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.
3OU7_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 173
TYR A 274
ALA A 120
LEU A 124
ALA A 262
1.50A22.77
None
None
NA  A 404 ( 3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ANQ_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		Crizotinib5 / 9
LEU A  65
GLY A  82
LEU A  81
ALA A  69
ASP A  13
1.55A21.51
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.
5Y7P_E_CHDE401_0
(BILE SALT HYDROLASE)		Cholic Acid5 / 8
ILE A 105
PHE A 148
LEU A 114
ALA A  87
LEU A  88
1.62A24.65
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.
5ZJI_A_PQNA844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 10
PHE A  80
GLY A  82
ALA A 150
LEU A 151
PHE A 242
1.66A17.18
8.52
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.
2D0K_B_FOLB2161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 150
LEU A 133
PHE A 148
THR A 169
LEU A 121
1.44A19.69
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.
4MJ8_A_SPMA202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		Spermine4 / 8
ILE A   6
GLU A  52
ILE A  45
LEU A  37
1.40A22.43
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.
1FML_B_RTLB501_0
(RETINOL DEHYDRATASE)		Vitamin A5 / 12
TYR A 138
TYR A 137
LEU A 151
TYR A  72
PHE A  57
1.59A20.69
None
None
None
NA  A 406 (-4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X19_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 4
TYR A 137
ARG A 141
THR A 103
LEU A 119
1.73A11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FHZ_B_REAB602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		Tretinoin5 / 9
THR A 169
LEU A 114
ASN A 147
LEU A 151
LEU A 173
1.72A19.10
None
None
NA  A 406 (-3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLE_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 150
LEU A 133
PHE A 148
THR A 169
LEU A 121
1.51A19.75
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.
5W3J_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel4 / 8
VAL A  42
ASP A  41
GLY A  82
LEU A  81
1.12A20.33
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.
4PWD_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Nevirapine4 / 8
LEU A 200
VAL A 206
TYR A 208
LEU A 186
1.33A20.95
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.
4Z4F_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 7
LEU A  59
PRO A  34
LEU A  81
TYR A  36
1.30A17.93
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.
2ZXW_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 6
LEU A 124
ARG A 167
MET A 170
THR A 171
LEU A 174
1.06A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
LEU A 121
GLN A 122
PHE A 128
LEU A 173
1.12A23.03
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RET_A_SALA201_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		Salicylic acid5 / 10
VAL A 117
ALA A 145
TYR A 113
ILE A 105
ILE A 152
1.68A16.21
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.
3UCB_A_017A201_1
(PROTEASE)		Darunavir5 / 12
LEU A 124
ALA A 177
ASN A 129
ILE A 152
VAL A 126
1.24A17.26
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.
5UXC_A_ZITA306_1
(PREDICTED
AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		Azithromycin4 / 7
THR A  10
PHE A  57
LEU A  81
SER A  86
1.50A21.01
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.
5ECL_A_ILEA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		L-Isoleucine4 / 6
THR A  35
VAL A  42
TYR A  28
VAL A   8
1.50A20.14
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.
2X45_B_HSMB1160_1
(ALLERGEN ARG R 1)		Histamine4 / 7
SER A 213
TYR A 306
VAL A 243
ASP A 215
1.64A19.81
None
GOL  A 408 (-4.9A)
NA  A 407 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		Propranolol4 / 5
PHE A 242
VAL A 301
MET A 170
VAL A 206
1.39A20.42
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.
1LXF_C_BEPC92_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Bepridil5 / 12
PHE A 148
ILE A 152
LEU A 173
MET A 170
CYH A 261
1.40A13.23
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.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		Aciclovir5 / 11
VAL A   3
GLU A   2
MET A   1
SER A  25
ILE A   6
1.64A19.70
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.
2UXP_A_CLMA1211_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR)		Chloramphenicol5 / 8
ALA A 136
LEU A 121
CYH A 149
ILE A 152
VAL A 117
1.55A19.76
 NA  A 406 ( 3.7A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z90_F_4LEF402_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		Isoflurane5 / 7
ALA A 136
LEU A 151
ALA A 132
ALA A 130
LEU A 173
1.30A20.16
 NA  A 406 ( 3.7A)
None
NA  A 406 (-4.3A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDX_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT VIIA-HEART)		Cholic Acid5 / 7
LEU A 124
ARG A 167
MET A 170
THR A 171
LEU A 174
1.18A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OSR_A_ACTA402_0
(CASEIN KINASE II
SUBUNIT ALPHA)		Acetic acid5 / 7
TYR A 252
VAL A 301
VAL A 304
ASP A 303
ALA A 262
1.53A20.27
GOL  A 408 (-4.6A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJJ_A_NCTA501_1
(CYTOCHROME P450 2A6)		Nicotine4 / 7
ASN A 110
GLY A 164
THR A 169
ILE A 152
1.16A22.56
BME  A 402 (-4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AOI_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		Amphetamine4 / 5
LEU A 291
PRO A  97
VAL A  99
ILE A 286
1.50A15.36
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.
3DTU_C_DXCC576_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Deoxycholic Acid5 / 8
PRO A 131
ALA A 132
ALA A 136
GLU A  71
THR A  15
1.44A19.93
22.85
None
NA  A 406 (-4.3A)
NA  A 406 ( 3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RLB_E_REAE176_1
(RETINOL BINDING
PROTEIN)		Tretinoin5 / 10
LEU A 124
ALA A 262
ALA A 120
VAL A 126
LEU A 174
1.61A19.20
None
None
NA  A 404 ( 3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q72_A_IXXA801_1
(TRANSPORTER)		Imipramine5 / 11
LEU A 153
ILE A 152
PHE A  80
ALA A 136
LEU A 173
1.53A21.71
None
None
None
NA  A 406 ( 3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YGN_A_ACTA1181_0
(WNT INHIBITORY
FACTOR 1)		Acetic acid3 / 3
TYR A  28
VAL A  22
THR A  27
1.33A18.10
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.
5HFJ_C_SAMC301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ASP A 230
GLY A 210
THR A 302
SER A 222
TYR A 208
1.63A20.85
None
None
GOL  A 409 (-3.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLG_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 154
LEU A 133
PHE A 148
THR A 169
LEU A 121
1.46A20.38
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.
6DJZ_C_GMJC301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Haloperidol6 / 12
MET A 170
ALA A 177
LEU A 173
SER A 104
LEU A 124
ALA A 120
1.64A17.99
None
None
None
NA  A 405 ( 3.9A)
None
NA  A 404 ( 3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BZM_A_MZMA262_1
(CARBONIC ANHYDRASE I)		Methazolamide4 / 8
PHE A  80
LEU A 173
THR A 169
HIS A 172
1.47A21.23
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.
3EDL_B_TA1B601_1
(BETA TUBULIN)		Paclitaxel5 / 12
ASP A 165
LEU A 254
PHE A 305
THR A 278
ARG A 285
1.23A21.79
GOL  A 409 (-3.1A)
GOL  A 408 (-4.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L8R_A_PQNA844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		Phylloquinone5 / 9
PHE A  57
GLY A  82
ALA A 150
LEU A  88
GLY A  39
1.08A17.17
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.
6NMF_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid5 / 7
LEU A 124
ARG A 167
MET A 170
THR A 171
LEU A 174
1.20A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KLM_A_SPPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		Delavirdine5 / 11
LEU A 173
TYR A 137
PRO A 131
LEU A 133
TYR A 155
1.71A19.12
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.
5A06_D_SORD1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		Sorbitol4 / 6
CYH A 112
GLU A 264
GLY A 267
GLY A 272
1.55A21.12
BME  A 402 (-2.0A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WLK_B_SPMB1302_1
(ATP-SENSITIVE INWARD
RECTIFIER POTASSIUM
CHANNEL 10)		Spermine4 / 4
ALA A 136
TYR A 138
ALA A 145
TYR A 137
1.70A21.55
 NA  A 406 ( 3.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIK_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
LEU A 121
GLN A 122
PHE A 128
LEU A 173
1.09A23.03
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H1L_A_FJQA501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		Tioconazole5 / 10
ALA A 132
LEU A 133
ALA A 145
THR A  91
ALA A 150
1.39A20.91
 NA  A 406 (-4.3A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OT2_A_NPSA602_1
(SERUM ALBUMIN)		Naproxen4 / 6
ARG A 139
ALA A 136
ASP A 144
LEU A 151
1.19A19.06
None
NA  A 406 ( 3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HEG_A_BAXA1_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		Sorafenib4 / 6
VAL A  99
ILE A 105
ILE A 286
LEU A 102
1.30A23.10
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.
4WNW_A_RTZA602_1
(CYTOCHROME P450 2D6)		Thioridazine5 / 12
LEU A 124
GLN A 123
VAL A 126
VAL A 166
PHE A 305
1.32A21.88
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.
1MX1_F_THAF6_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 12
VAL A 206
LEU A 179
LEU A 173
MET A 244
PHE A 305
1.27A20.11
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.
2KQE_A_ADNA1002_1
(APRATAXIN AND
PNK-LIKE FACTOR)		Adenosine4 / 5
TYR A 274
SER A 115
CYH A 112
TYR A 113
1.54A16.84
None
NA  A 405 (-2.9A)
BME  A 402 (-2.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JQA_A_DX4A270_0
(PTERIDINE REDUCTASE
1)		Tioguanine4 / 6
SER A 116
ASP A 165
TYR A 274
PRO A 300
1.71A18.62
 NA  A 404 (-3.7A)
GOL  A 409 (-3.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ITZ_A_IREA2021_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib5 / 12
LEU A 114
VAL A 117
MET A 207
GLY A 164
ASP A 303
1.40A21.29
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.
5X1B_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
ARG A 167
MET A 170
THR A 171
LEU A 174
1.12A11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q1X_A_017A101_1
(ASPARTYL PROTEASE)		Darunavir5 / 11
LEU A 121
ALA A 140
ASP A 144
ILE A 105
VAL A 117
1.25A15.31
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.
3JAF_A_IVMA503_0
(GLYCINE RECEPTOR
SUBUNIT ALPHAZ1)		Ivermectin6 / 12
THR A 103
VAL A 126
ALA A 120
LEU A 119
LEU A 133
ILE A 152
1.64A20.66
None
None
NA  A 404 ( 3.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid6 / 8
LEU A 124
PHE A 305
ARG A 167
MET A 170
THR A 171
LEU A 174
1.49A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OSP_A_ACTA403_0
(CASEIN KINASE II
SUBUNIT ALPHA)		Acetic acid5 / 7
TYR A 252
VAL A 301
VAL A 304
ASP A 303
ALA A 262
1.55A20.27
GOL  A 408 (-4.6A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YBB_A_SAMA601_1
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)		S-Adenosylmethionine4 / 5
PHE A  32
THR A  11
ASP A  38
ASN A  50
1.75A19.34
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.
5Z84_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A 121
GLN A 122
PHE A 128
LEU A 173
1.22A23.03
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AY4_A_TPFA506_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		Fluconazole5 / 10
TYR A  72
PHE A  80
TYR A  73
ALA A 154
ALA A 150
1.45A22.34
 NA  A 406 (-4.9A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NNA_A_BZMA301_0
(ISATIN HYDROLASE A)		Benzyl Benzoate5 / 12
ILE A 152
LEU A 153
TRP A  94
VAL A 117
GLY A 164
1.51A21.28
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.
3G1U_C_ADNC438_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU A 124
LEU A 179
LEU A 174
MET A 244
PHE A 305
1.77A21.63
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.
4EYS_A_ACTA402_0
(MCCC FAMILY PROTEIN)		Acetic acid4 / 6
SER A 116
ASP A 287
ARG A 285
GLU A 264
1.67A20.27
 NA  A 404 (-3.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0K_B_DAHB98_0
(MELC
TYROSINASE)		Levodopa5 / 11
ILE A 286
HIS A 273
VAL A 166
SER A 115
ASP A 303
1.61A21.79
16.10
None
BME  A 402 (-3.9A)
None
NA  A 405 (-2.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BF1_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid5 / 12
THR A 292
THR A 275
VAL A  99
THR A 278
ILE A 277
1.69A21.89
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.
3AG4_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
LEU A 121
GLN A 122
PHE A 128
LEU A 173
1.13A23.03
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 7
LEU A 124
PHE A 305
ARG A 167
MET A 170
THR A 171
1.55A20.59
11.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GYQ_B_SAMB270_0
(RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE)		S-Adenosylmethionine5 / 11
LEU A 118
ALA A 120
GLY A 288
LEU A 102
VAL A  99
1.57A20.35
None
NA  A 404 ( 3.8A)
NA  A 405 (-3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		GENTAMICIN C1A4 / 7
ARG A 285
TYR A 297
GLU A 264
CYH A 112
1.64A23.15
None
None
None
BME  A 402 (-2.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VEU_B_RITB602_1
(CYTOCHROME P450 3A5)		Ritonavir5 / 12
SER A 213
ALA A 247
ALA A 262
ILE A 277
GLY A 299
1.37A20.28
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.
5HW4_B_SAMB801_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE I)		S-Adenosylmethionine5 / 11
ILE A 277
CYH A 261
ALA A 262
LEU A 254
GLU A 264
1.37A20.80
None
None
None
GOL  A 408 (-4.7A)
None