PDB ID: 1z1i


Macromolecule:
3C-LIKE PROTEINASE


Source Organism:
SARSr-CoV


Gene names:
-


UniProt ID:
P0C6X7

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '1z1i'

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.
1GWR_A_ESTA600_1
(OESTROGEN RECEPTOR)
Estradiol5 / 10
MET A 264
LEU A 208
GLU A 288
LEU A 282
LEU A 253
1.71A21.85
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.
4EIL_H_FOLH703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
Folic Acid5 / 9
VAL A  13
PHE A 103
LYS A 102
SER A 158
THR A  98
1.67A19.86
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.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)
Sitagliptin5 / 12
GLY A 109
ARG A 131
VAL A  13
ASN A 151
VAL A 157
1.54A17.90
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.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)
Warfarin5 / 11
LEU A 205
LEU A 250
LEU A 253
ILE A 259
ALA A 260
1.49A18.70
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.
5VCE_A_RITA602_1
(CYTOCHROME P450 3A4)
Ritonavir6 / 12
PHE A 294
ILE A 249
ALA A 255
THR A 257
ILE A 213
ALA A 210
1.78A21.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_D_P06D801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
Dabrafenib5 / 12
PHE A 140
VAL A 125
ALA A   7
PHE A 150
GLY A 149
1.33A22.29
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.
5ZCP_B_CHDB301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)
Cholic Acid5 / 11
MET A  17
GLY A  29
GLN A  19
THR A  21
GLY A 143
1.67A20.23
22.78
14.33
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.
4L4C_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)
Camphor4 / 8
TYR A 239
LEU A 268
ASP A 289
ILE A 200
1.23A20.56
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.
2W3B_B_FOLB401_0
(DIHYDROFOLATE
REDUCTASE)
Folic Acid5 / 12
ILE A 200
LEU A 272
PHE A 230
LEU A 250
THR A 198
1.41A18.53
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.
5XDQ_B_CHDB304_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)
Cholic Acid5 / 11
MET A  17
GLY A  29
GLN A  19
THR A  21
GLY A 143
1.68A20.23
22.78
14.33
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.
3RIF_A_IVMA403_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)
Ivermectin5 / 12
ILE A 106
ILE A 136
GLY A 109
THR A 292
PHE A 294
1.60A24.32
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.
1I00_B_D16B409_1
(THYMIDYLATE SYNTHASE)
Raltitrexed5 / 9
ILE A 281
TRP A 218
LEU A 268
ASN A 221
TYR A 237
1.60A20.66
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.
4YVP_A_GBMA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1)
Glyburide5 / 11
LEU A 208
TRP A 207
ILE A 281
GLU A 270
LEU A 272
1.74A21.76
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.
3RD0_A_EDPA175_1
(FERRITIN LIGHT CHAIN)
Thiopental4 / 6
LEU A  87
TYR A  37
ARG A  40
LEU A  89
1.33A18.39
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.
2OKC_B_SAMB500_1
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)
S-Adenosylmethionine4 / 6
THR A 135
THR A 169
THR A 190
ASP A  48
1.71A21.79
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)
Pentobarbital4 / 6
LEU A  87
TYR A  37
ARG A  40
LEU A  89
1.32A18.39
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.
2PYN_A_1UNA1001_2
(PROTEASE RETROPEPSIN)
Nelfinavir5 / 12
GLY A  71
ALA A  70
ASN A  95
GLY A  29
VAL A  77
1.21A17.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PYN_A_1UNA1001_1
(PROTEASE RETROPEPSIN)
Nelfinavir5 / 12
GLY A  71
ALA A  70
ASN A  95
GLY A  29
VAL A  77
1.21A17.48
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.
2FQY_A_ADNA400_1
(MEMBRANE LIPOPROTEIN
TMPC)
Adenosine5 / 12
PHE A 150
ASN A 151
GLY A 149
MET A  17
PHE A 159
1.68A22.16
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.
3SUE_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)
Grazoprevir5 / 12
VAL A 297
ASP A 295
GLY A 149
SER A 113
ALA A 129
1.36A23.47
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.
2AYL_B_FLPB2701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
Flurbiprofen5 / 12
VAL A  20
LEU A  67
LEU A  89
GLY A  71
ALA A  70
1.45A18.41
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.
4F3T_A_IPHA901_0
(PROTEIN ARGONAUTE-2)
Phenol4 / 4
PHE A 140
VAL A 114
ALA A 116
PHE A 150
1.79A15.87
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.
5CSW_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
Dabrafenib5 / 12
PHE A 140
VAL A 125
ALA A   7
PHE A 150
GLY A 149
1.31A21.95
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.
1TYL_C_TYLC100_1
(INSULIN)
Acetaminophen4 / 5
CYH A 265
ILE A 259
LEU A 205
ALA A 206
1.65A6.82
8.71
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.
5M5C_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)
Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 208
ALA A 210
THR A 285
1.28A20.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUM_A_IMNA502_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
Indomethacin4 / 7
GLU A 166
ARG A  40
LEU A  57
MET A  49
1.42A22.09
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.
3AX7_A_SALA1336_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
Salicylic acid4 / 8
PHE A 230
THR A 201
VAL A 204
LEU A 208
1.16A13.65
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.
4Z7F_A_FOLA201_0
(FOLATE ECF
TRANSPORTER)
Folic Acid5 / 12
LEU A 271
ASP A 229
ALA A 234
THR A 226
ASN A 221
1.54A18.93
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.
1G60_B_SAMB501_0
(ADENINE-SPECIFIC
METHYLTRANSFERASE
MBOIIA)
S-Adenosylmethionine5 / 12
ASN A  84
CYH A  85
ASP A  48
THR A  25
MET A  82
1.57A20.75
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.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)
Simeprevir5 / 12
GLY A 138
GLY A 170
ARG A 131
ALA A 194
ASP A 197
1.26A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HB6_A_DXCA75_0
(PPCA)
Deoxycholic Acid4 / 8
ILE A  43
LEU A  87
ILE A  59
GLY A  79
0.92A11.45
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.
3LZV_A_017A200_1
(HIV-1 PROTEASE)
Darunavir5 / 10
GLY A  71
ALA A  70
ASN A  95
GLY A  29
VAL A  77
1.32A17.07
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.
3BUF_A_AEGA394_0
(BETA-SECRETASE 1)
Hydroxyamphetamine4 / 5
ASP A 216
ILE A 259
ILE A 281
GLY A 215
1.31A21.90
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.
2OIP_E_MTXE621_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)
Methotrexate5 / 12
LEU A  86
ASP A 176
PHE A 103
SER A 158
THR A  35
1.56A21.33
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.
3UNA_A_SALA1340_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
Salicylic acid5 / 9
LEU A 272
PHE A 230
THR A 201
VAL A 204
LEU A 208
1.63A13.65
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.
3LXE_A_TORA262_1
(CARBONIC ANHYDRASE 1)
Topiramate5 / 12
SER A 144
PHE A 181
HIS A 163
HIS A 172
LEU A 167
1.74A22.01
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.
6NQA_K_SAMK500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)
S-Adenosylmethionine5 / 10
THR A  26
GLY A 120
GLY A  29
VAL A  20
ASN A 119
1.77A19.86
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.
2AYL_A_FLPA1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
Flurbiprofen5 / 12
VAL A  20
LEU A  67
LEU A  89
GLY A  71
ALA A  70
1.49A18.41
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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)
Penicillamine4 / 5
LEU A 271
GLN A 273
LEU A 268
GLU A 270
1.41A6.60
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)
Fludarabine4 / 4
LEU A 202
GLN A 110
THR A 292
THR A 243
1.80A20.16
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.
4F8Y_C_VK3C202_1
(NADPH QUINONE
OXIDOREDUCTASE)
Menadione4 / 7
TYR A  37
TYR A 101
LEU A  30
TYR A 182
1.72A20.70
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.
6AK3_B_P2EB1201_1
(PROSTAGLANDIN E2
RECEPTOR EP3
SUBTYPE,SOLUBLE
CYTOCHROME B562)
Dinoprostone4 / 5
PRO A  39
VAL A  42
GLY A  71
VAL A  36
1.47A19.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HPU_A_IPHA101_0
(INSULIN, CHAIN A
INSULIN, CHAIN B)
Phenol4 / 4
CYH A 265
LEU A 250
LEU A 205
ALA A 206
1.52A6.82
8.71
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.
4OLT_B_GCSB301_1
(CHITOSANASE)
Glucosamine3 / 3
GLY A 251
PRO A 252
GLN A 256
1.13A23.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EM2_A_SALA504_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SAR2349)
Salicylic acid4 / 8
GLY A 283
LEU A 282
ILE A 281
THR A 280
1.09A20.00
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.
3V8V_B_SAMB801_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)
S-Adenosylmethionine5 / 11
MET A  17
GLY A  71
SER A 121
ASN A  95
LEU A 115
1.68A18.23
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.
4K87_A_ADNA602_1
(PROLINE--TRNA LIGASE)
Adenosine4 / 8
ARG A   4
PHE A   3
GLN A 127
THR A 111
1.40A23.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ODR_B_FK5B201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA)
Tacrolimus5 / 11
LEU A  30
LEU A 177
LEU A  86
TYR A 182
ILE A 136
1.49A15.28
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.
4N09_D_ADND401_1
(ADENOSINE KINASE)
Adenosine5 / 12
GLY A  29
CYH A 117
ALA A 116
PHE A 150
GLY A  15
1.40A22.85
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.
2FR3_A_REAA300_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
2)
Tretinoin5 / 12
LEU A 167
ILE A 136
ALA A 173
THR A 175
TYR A  54
1.19A18.39
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.
6NJ9_K_SAMK500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)
S-Adenosylmethionine3 / 3
THR A 135
GLU A 240
ASN A 133
1.17A19.86
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.
4RS0_A_IBPA706_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
Ibuprofen5 / 9
VAL A  20
LEU A  67
LEU A  89
GLY A  71
ALA A  70
1.39A19.49
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.
3A25_A_SAMA279_1
(UNCHARACTERIZED
PROTEIN PH0793)
S-Adenosylmethionine3 / 3
MET A 235
GLU A 240
ASP A 245
1.78A20.96
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.
2PYM_A_1UNA1001_1
(PROTEASE RETROPEPSIN)
Nelfinavir5 / 12
GLY A  71
ALA A  70
ASN A  95
GLY A  29
VAL A  77
1.20A19.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ND3_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)
Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 268
LEU A 208
ALA A 210
1.28A20.86
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.
5L6E_A_SAMA601_1
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)
S-Adenosylmethionine4 / 6
ASP A  56
ASP A 187
ARG A 188
ASN A  53
1.73A19.31
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.
4ZN7_B_DESB600_1
(ESTROGEN RECEPTOR)
Diethylstilbestrol5 / 11
LEU A 220
ALA A 267
GLU A 270
LEU A 271
LEU A 205
1.73A20.78
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.
6B89_A_NOVA403_2
(LIPOPOLYSACCHARIDE
EXPORT SYSTEM
ATP-BINDING PROTEIN
LPTB)
Novobiocin4 / 6
PHE A   3
ARG A   4
LEU A 282
ALA A 210
1.29A22.53
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.
5FHZ_B_REAB602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)
Tretinoin5 / 9
ILE A 259
GLY A 251
LEU A 253
LEU A 205
LEU A 202
1.55A19.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P65_A_IPHA101_0
(INSULIN)
Phenol5 / 10
LEU A 202
CYH A 265
LEU A 205
ALA A 206
LEU A 253
1.55A6.82
10.82
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)
Clarithromycin4 / 5
PRO A 132
HIS A 246
LEU A 208
PHE A 294
1.56A21.97
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.
3DCJ_A_THHA401_0
(PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN)
Levomefolic acid5 / 12
LEU A 250
ASN A 203
THR A 198
THR A 201
PRO A 241
1.50A23.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MB5_A_SAMA301_0
(SAM-DEPENDENT
METHYLTRANSFERASE)
S-Adenosylmethionine5 / 12
VAL A 125
GLY A 138
SER A 139
ALA A 116
ILE A 106
1.44A21.23
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.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)
Simeprevir5 / 12
GLY A 138
GLY A 170
ARG A 131
ALA A 194
ASP A 197
1.25A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C6G_A_VD3A701_1
(CYTOCHROME P450 2R1)
Cholecalciferol5 / 12
PHE A 140
ALA A 116
GLY A 138
ILE A 106
THR A 175
1.34A21.31
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.
5HIE_C_P06C801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
Dabrafenib6 / 12
GLY A 124
PHE A 140
VAL A 125
ALA A   7
PHE A 150
GLY A 149
1.56A22.29
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.
4HFP_D_15UD402_1
(PROTHROMBIN)
Argatroban5 / 12
TYR A 239
LEU A 268
ALA A 210
GLU A 288
ALA A 206
1.32A20.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FO4_A_SALA3005_1
(XANTHINE
DEHYDROGENASE)
Salicylic acid5 / 9
LEU A 272
PHE A 230
THR A 201
VAL A 204
LEU A 208
1.65A13.65
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.
2AZX_A_TRPA601_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
L-Tryptophan5 / 12
TYR A 161
GLY A 149
ILE A 136
CYH A 128
PHE A 140
1.50A19.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WBO_C_ANWC601_0
(RHODOPSIN KINASE)
Amlexanox4 / 6
LEU A 202
ALA A 206
MET A 264
LEU A 268
1.43A19.89
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.
1ONI_B_BEZB503_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
Benzoic Acid4 / 6
TYR A 239
ILE A 200
PRO A 132
GLU A 240
1.48A20.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PRS_A_RITA1001_2
(ENDOTHIAPEPSIN)
Ritonavir5 / 12
ASP A 187
GLY A 170
ASP A  48
TYR A 161
ILE A 136
1.64A22.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_D_MTXD617_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)
Methotrexate5 / 12
LEU A  86
ASP A 176
PHE A 103
SER A 158
THR A  35
1.59A21.33
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.
5ZCO_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)
Cholic Acid5 / 11
MET A  17
GLY A  29
GLN A  19
THR A  21
GLY A 143
1.68A20.23
22.78
14.33
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.
2DG9_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)
Sirolimus5 / 11
PHE A   3
GLU A 288
ILE A 281
LEU A 282
ILE A 259
1.68A16.67
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.
1ZUC_B_T98B202_1
(PROGESTERONE
RECEPTOR)
Tanaproget5 / 12
LEU A 202
LEU A 205
LEU A 268
LEU A 253
THR A 292
1.60A20.50
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
Cyproheptadine4 / 5
TYR A 182
GLY A 179
TYR A 161
GLY A 146
1.32A20.00
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.
5L2T_A_6ZZA900_2
(CYCLIN-DEPENDENT
KINASE 6)
Ribociclib3 / 3
LYS A  97
GLN A  69
ASN A  72
1.44A21.93
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.
3ELZ_B_CHDB150_0
(ILEAL BILE
ACID-BINDING PROTEIN)
Cholic Acid5 / 11
GLN A  83
MET A 162
LEU A  89
TYR A 101
THR A  35
1.75A19.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DM8_B_REAB1501_1
(RETINOIC ACID
RECEPTOR BETA)
Tretinoin5 / 12
LEU A 220
ALA A 267
LEU A 272
LEU A 271
LEU A 242
1.33A18.06
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.
6CJK_B_ACTB302_0
(IMMUNOGLOBULIN FAB
HEAVY CHAIN)
Acetic acid3 / 3
TYR A 182
GLY A 183
THR A 175
1.34A21.18
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.
6HU9_N_PCFN606_0
(CYTOCHROME B)
Colfosceril palmitate5 / 12
PHE A 140
TYR A  37
THR A  35
VAL A 125
TYR A 118
1.71A22.44
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.
3TNE_B_RITB401_1
(SECRETED ASPARTIC
PROTEASE)
Ritonavir5 / 12
ILE A 281
ASP A 216
GLY A 215
GLY A   2
ILE A 213
1.38A24.66
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.
4WVD_A_IVMA505_0
(BILE ACID RECEPTOR)
Ivermectin5 / 11
LEU A 271
MET A 276
ASN A 277
ILE A 286
LEU A 205
1.73A21.59
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.
2LBD_A_REAA500_1
(RETINOIC ACID
RECEPTOR GAMMA)
Tretinoin5 / 12
MET A 130
ILE A 136
PHE A 140
SER A 139
LEU A 177
1.49A21.62
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.
2AKE_A_TRPA479_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
L-Tryptophan5 / 12
TYR A 161
GLY A 149
ILE A 136
CYH A 128
PHE A 140
1.54A21.85
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)
Roflumilast3 / 3
ASP A  33
LEU A  32
GLN A  83
0.98A21.23
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.
4QOI_B_ML1B303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
Melatonin5 / 11
GLY A  29
MET A  17
GLY A 179
PHE A 103
PHE A 159
1.47A22.26
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.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)
Progesterone6 / 12
LEU A  87
ASN A  63
GLY A  79
ALA A  70
VAL A  20
VAL A  68
1.58A20.72
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.
6EW0_G_TA1G501_2
(TUBULIN BETA CHAIN)
Paclitaxel4 / 6
LEU A 227
LEU A 205
ARG A 131
PRO A 132
1.46A20.86
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.
2AA5_B_STRB302_1
(MINERALOCORTICOID
RECEPTOR)
Progesterone5 / 12
ASN A 203
LEU A 208
SER A 284
LEU A 282
THR A 111
1.43A21.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F8L_A_SAMA400_0
(HYPOTHETICAL PROTEIN
LMO1582)
S-Adenosylmethionine5 / 12
ALA A 255
GLY A 258
VAL A 261
ASP A 263
GLY A 251
1.29A19.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_A_W9TA1001_1
(HEMOLYTIC LECTIN
CEL-III)
Lactulose4 / 5
ASP A 187
VAL A 186
TYR A  54
ASP A  48
1.78A19.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QWX_B_ML1B233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
Melatonin4 / 7
GLY A  15
GLY A 124
PHE A 150
PHE A 159
1.28A22.26
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.
5Z86_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)
Cholic Acid5 / 11
MET A  17
GLY A  29
GLN A  19
THR A  21
GLY A 143
1.67A20.23
22.78
14.33
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.
1PCG_A_ESTA1_1
(ESTROGEN RECEPTOR)
Estradiol5 / 10
LEU A 220
ALA A 267
GLU A 270
LEU A 271
LEU A 205
1.64A20.54
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.
4N48_A_SAMA601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)
S-Adenosylmethionine6 / 12
GLY A 183
PRO A 184
PHE A 181
ASN A 133
ILE A 106
THR A 111
1.48A21.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2W_A_ETSA302_1
(CARBONIC ANHYDRASE 2)
Dorzolamide5 / 12
LEU A  27
VAL A  20
VAL A  68
LEU A  89
THR A  35
1.30A22.36
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.
1ONI_A_BEZA501_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
Benzoic Acid4 / 7
TYR A 239
ILE A 200
PRO A 132
GLU A 240
1.50A20.06
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.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)
Raltitrexed4 / 8
ILE A 281
LEU A 268
PHE A 219
TYR A 237
1.30A20.85
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.
2OAX_F_SNLF6001_2
(MINERALOCORTICOID
RECEPTOR)
Spironolactone4 / 5
LEU A 287
LEU A 268
LEU A 242
MET A 235
1.41A22.29
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.
4M6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
Folic Acid5 / 12
ILE A 200
LEU A 272
PHE A 230
LEU A 250
THR A 198
1.42A18.53
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.
3KO0_R_TFPR202_1
(PROTEIN S100-A4)
Trifluoperazine5 / 11
ILE A 106
CYH A 160
PHE A 159
ASP A 153
PHE A   8
1.76A16.27
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.
4LB2_A_DM5A602_1
(SERUM ALBUMIN)
Idarubicin4 / 7
MET A 165
ALA A 173
PHE A 181
TYR A  54
1.17A18.70
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.
4ZBQ_A_DIFA602_1
(SERUM ALBUMIN)
Diclofenac4 / 8
LEU A 253
ASN A 203
ALA A 206
VAL A 204
1.42A17.67
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.
5DXE_B_ESTB1000_1
(ESTROGEN RECEPTOR)
Estradiol5 / 10
LEU A 220
ALA A 267
GLU A 270
LEU A 271
LEU A 205
1.64A20.45
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.
5HWA_A_GCSA303_1
(CHITOSANASE)
Glucosamine4 / 5
HIS A 134
VAL A 171
GLY A 195
ALA A 194
1.34A20.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AA5_A_STRA301_1
(MINERALOCORTICOID
RECEPTOR)
Progesterone5 / 12
ASN A 203
LEU A 208
SER A 284
LEU A 282
THR A 111
1.41A21.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XPQ_C_SPMC921_1
(FMS1 PROTEIN)
Spermine5 / 11
ASN A 151
LEU A  32
LEU A  30
TYR A 101
CYH A 156
1.74A21.67
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.
5BMV_C_VLBC507_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA-1B
CHAIN)
Vinblastine4 / 6
LYS A 102
ASP A 176
TYR A  37
LEU A  32
1.72A20.86
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.
1CBS_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE II)
Tretinoin5 / 12
LEU A 167
ILE A 136
ALA A 173
THR A 175
TYR A  54
1.22A18.39
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.
4NKX_B_STRB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)
Progesterone6 / 12
LEU A  87
ASN A  63
GLY A  79
ALA A  70
VAL A  20
VAL A  68
1.64A20.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T9W_A_NFNA6002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)
Nafcillin4 / 7
ALA A 211
PHE A 291
ARG A   4
ASN A 214
1.48A14.43
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.
2JFA_A_RALA600_1
(ESTROGEN RECEPTOR)
Raloxifene5 / 12
MET A 165
LEU A 177
LEU A  86
ILE A  43
LEU A  27
1.49A20.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKX_B_STRB601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)
Progesterone4 / 5
ILE A  43
LEU A  58
ASP A 187
GLU A  47
1.41A20.72
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.
5G5G_B_ACTB1321_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT)
Acetic acid3 / 3
THR A  45
ASP A  48
ALA A  46
1.12A23.55
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.
4BLV_A_SAMA1281_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)
S-Adenosylmethionine4 / 6
HIS A  80
HIS A  64
SER A  65
ASP A 187
1.49A20.06
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.
4XI3_A_29SA601_1
(ESTROGEN RECEPTOR)
Bazedoxifene5 / 12
THR A 292
ALA A 206
LEU A 253
LEU A 268
PRO A 252
1.68A21.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JLF_A_NVPA999_1
(HIV-1 RT A-CHAIN
HIV-1 RT B-CHAIN)
Nevirapine4 / 8
LEU A  89
VAL A  18
TYR A  37
GLY A  29
1.47A18.32
20.97
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.
6ECT_A_SAMA1300_0
(STIE PROTEIN)
S-Adenosylmethionine5 / 12
ASP A 295
ILE A 281
SER A 284
LEU A 287
ILE A 286
1.40A22.50
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.
3WG7_B_CHDB303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)
Cholic Acid5 / 11
MET A  17
GLY A  29
GLN A  19
THR A  21
GLY A 143
1.71A20.23
22.78
14.33
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.
4WG0_A_CHDA103_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)
Cholic Acid5 / 8
ASN A 203
LEU A 202
LEU A 250
ALA A 210
LEU A 253
1.68A4.05
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.
2TSR_B_D16B409_1
(THYMIDYLATE SYNTHASE)
Raltitrexed4 / 8
ILE A 281
LEU A 268
PHE A 219
TYR A 237
1.22A21.60
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.
2HDN_J_TACJ5888_1
(ELONGATION FACTOR
EF-TU)
Tetracycline4 / 6
THR A  98
SER A  94
ASP A  33
VAL A  91
1.58A10.75
19.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TNE_A_RITA401_1
(SECRETED ASPARTIC
PROTEASE)
Ritonavir5 / 12
ILE A 281
ASP A 216
GLY A 215
GLY A   2
ILE A 213
1.33A24.66
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.
5B1B_B_CHDB303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)
Cholic Acid5 / 11
MET A  17
GLY A  29
GLN A  19
THR A  21
GLY A 143
1.70A20.23
22.78
14.33
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.
3UT5_D_LOCD502_1
(TUBULIN BETA CHAIN)
Colchicine6 / 12
LEU A 205
ALA A 266
LYS A 269
LEU A 271
ASN A 274
ILE A 281
1.73A21.29
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)
Pemetrexed5 / 12
ALA A 206
LEU A 268
THR A 199
LEU A 272
LEU A 287
1.45A21.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KN0_A_MTXA301_1
(FOLATE RECEPTOR BETA)
Methotrexate5 / 12
PHE A 294
ASP A 153
GLN A 127
GLY A 109
SER A 158
1.74A18.55
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.
3IW1_A_ASDA1223_1
(CYTOCHROME P450
CYP125)
4-Androstenedione5 / 12
PRO A 252
SER A 254
ILE A 259
VAL A 261
VAL A 247
1.47A22.95
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.
4B9Z_A_ACRA1818_1
(ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B)
Acarbose5 / 12
ILE A  59
LEU A  57
GLU A  47
PHE A  66
HIS A  80
1.62A17.47
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.
5ECL_A_ILEA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)
L-Isoleucine4 / 6
ALA A 173
TYR A 182
VAL A 114
HIS A 172
1.42A19.17
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.
3KP6_B_SALB3008_1
(TRANSCRIPTIONAL
REGULATOR TCAR)
Salicylic acid4 / 7
GLU A 288
VAL A 204
VAL A 296
ALA A 210
1.33A18.63
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.
3V5V_A_ACTA511_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)
Acetic acid4 / 4
ASN A 214
PHE A   3
SER A   1
GLN A 299
1.58A22.49
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.
4HTF_A_SAMA301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)
S-Adenosylmethionine5 / 12
GLY A  29
GLY A 146
ALA A  70
VAL A  36
VAL A  91
1.35A21.10
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.
6B89_B_NOVB403_1
(LIPOPOLYSACCHARIDE
EXPORT SYSTEM
ATP-BINDING PROTEIN
LPTB)
Novobiocin4 / 7
PHE A   3
ARG A   4
LEU A 282
ALA A 210
1.31A22.53
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.
3RHW_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)
Ivermectin5 / 12
ILE A 106
ILE A 136
GLY A 109
THR A 292
PHE A 294
1.61A24.32
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.
6D9K_F_ACTF802_0
(UNCHARACTERIZED
PROTEIN)
Acetic acid3 / 3
TYR A 209
ALA A 267
LEU A 220
1.29A17.05
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.
1A4L_D_DCFD1853_2
(ADENOSINE DEAMINASE)
Pentostatin4 / 4
HIS A  64
LEU A  89
LEU A  87
LEU A  57
1.65A21.39
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.
4KEB_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)
Folic Acid5 / 12
ILE A 200
LEU A 272
PHE A 230
LEU A 250
THR A 198
1.39A18.54
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.
2W3B_A_FOLA401_0
(DIHYDROFOLATE
REDUCTASE)
Folic Acid5 / 12
ILE A 200
LEU A 272
PHE A 230
LEU A 250
THR A 198
1.43A18.53
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.
2W3M_B_FOLB1188_0
(DIHYDROFOLATE
REDUCTASE)
Folic Acid5 / 12
ILE A 200
LEU A 272
PHE A 230
LEU A 250
THR A 198
1.44A18.53
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.
3HM1_B_J3ZB1_1
(ESTROGEN RECEPTOR)
Estrone5 / 11
MET A 264
LEU A 208
GLU A 288
LEU A 282
LEU A 253
1.66A20.94
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.
4WG0_B_CHDB102_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)
Cholic Acid5 / 11
LEU A 271
GLU A 288
LEU A 287
ALA A 211
LEU A 208
1.37A4.05
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.
5WGD_B_ESTB601_1
(ESTROGEN RECEPTOR)
Estradiol5 / 11
MET A 264
LEU A 208
GLU A 288
LEU A 282
LEU A 253
1.64A20.45
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.
5M5C_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)
Paclitaxel5 / 10
VAL A 296
ASP A 295
LEU A 208
ALA A 210
THR A 285
1.25A20.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UT5_B_LOCB502_1
(TUBULIN BETA CHAIN)
Colchicine6 / 12
LEU A 205
ALA A 266
LYS A 269
LEU A 271
ASN A 274
ILE A 281
1.67A21.29
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.
4KFJ_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)
Folic Acid5 / 12
ILE A 200
LEU A 272
PHE A 230
LEU A 250
THR A 198
1.40A18.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1V_A_URFA1301_1
(URIDINE
PHOSPHORYLASE)
Fluorouracil4 / 8
THR A 135
GLY A 174
ARG A 105
ILE A 136
1.39A21.45
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.
3Q70_A_RITA2001_1
(CANDIDAPEPSIN-2)
Ritonavir5 / 12
ILE A 281
ASP A 216
GLY A 215
GLY A   2
ILE A 213
1.38A23.22
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.
3UNI_B_SALB1345_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
Salicylic acid5 / 8
LEU A 272
PHE A 230
THR A 201
VAL A 204
LEU A 208
1.63A13.65
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.
5X5Q_F_D16F402_1
(THYMIDYLATE SYNTHASE)
Raltitrexed4 / 8
ILE A 281
LEU A 268
PHE A 219
TYR A 237
1.28A20.85
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.
5IGV_A_ZITA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)
Azithromycin5 / 12
ILE A 259
GLY A 258
TYR A 209
GLU A 270
ALA A 206
1.59A20.42
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)
Estrone4 / 8
TYR A 237
LEU A 268
LEU A 287
THR A 285
1.42A21.82
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.
3UNC_A_SALA1338_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
Salicylic acid5 / 9
LEU A 272
PHE A 230
THR A 201
VAL A 204
LEU A 208
1.62A13.65
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.
1FIQ_C_SALC1335_1
(XANTHINE OXIDASE)
Salicylic acid5 / 8
LEU A 272
PHE A 230
THR A 201
VAL A 204
LEU A 208
1.59A18.92
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.
3AG3_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)
Cholic Acid5 / 11
MET A  17
GLY A  29
GLN A  19
THR A  21
GLY A 143
1.68A20.23
22.78
14.33
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.
5MAF_A_XINA403_2
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)
Nintedanib4 / 5
LEU A  57
CYH A  38
LEU A  27
ASP A  48
1.57A21.33
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.
3SP9_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)
Iloprost5 / 12
LEU A  75
THR A  21
THR A  25
VAL A  77
HIS A  41
1.63A23.56
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.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)
Simeprevir5 / 12
GLY A 138
GLY A 170
ARG A 131
ALA A 194
ASP A 197
1.23A22.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DDY_A_RBFA187_1
(LUMAZINE PROTEIN)
Riboflavin5 / 12
ILE A 200
GLN A 127
ALA A 129
ASN A 151
ILE A 106
1.50A21.50
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.
3NVK_J_SAMJ228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)
S-Adenosylmethionine5 / 12
GLU A 288
ALA A 210
ASP A 295
VAL A 296
GLN A 299
1.76A21.62
23.35
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.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)
Dihomo-gamma-linolenic acid5 / 12
LEU A 220
GLY A 258
SER A 254
GLY A 251
LEU A 250
1.51A18.45
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.
5X5Q_C_D16C402_1
(THYMIDYLATE SYNTHASE)
Raltitrexed4 / 7
ILE A 281
LEU A 268
PHE A 219
TYR A 237
1.28A20.85
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.
3Q87_B_SAMB300_0
(N6 ADENINE SPECIFIC
DNA METHYLASE)
S-Adenosylmethionine5 / 12
THR A  25
SER A  65
ASN A  63
ASP A  92
LEU A  75
1.38A19.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)
Cefotaxime5 / 12
ALA A 116
SER A 123
ASN A  28
GLY A 143
ASN A 142
1.11A20.65
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.
2Q64_B_1UNB1001_3
(PROTEASE RETROPEPSIN)
Nelfinavir5 / 12
GLY A  71
ALA A  70
ASN A  95
GLY A  29
VAL A  77
1.22A16.78
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.
4X1F_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)
Ethinyl Estradiol5 / 12
ASP A  56
SER A  65
PHE A  66
LEU A  58
ILE A  59
1.43A19.76
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.
1OT7_B_IU5B1002_1
(BILE ACID RECEPTOR)
Ursodeoxycholic acid5 / 12
LEU A  86
MET A 162
HIS A 163
MET A 165
TYR A  54
1.58A22.84
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.
3UNI_A_SALA1344_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
Salicylic acid4 / 7
PHE A 230
THR A 201
VAL A 204
LEU A 208
1.17A13.65
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.
4XV2_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
Dabrafenib5 / 12
PHE A 140
VAL A 125
ALA A   7
PHE A 150
GLY A 149
1.35A21.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UY4_A_PAUA302_0
(PANTOTHENATE
SYNTHETASE)
Pantothenic acid4 / 8
GLN A 192
ARG A 188
ASP A  48
GLN A 189
1.23A21.56
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.
5LVN_A_ADNA402_1
(3-PHOSPHOINOSITIDE-D
EPENDENT PROTEIN
KINASE 1)
Adenosine5 / 11
GLY A  29
VAL A  18
VAL A  91
LEU A  75
LEU A  89
1.36A18.62
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.
2QXS_A_RALA600_1
(ESTROGEN RECEPTOR)
Raloxifene5 / 12
MET A 165
LEU A 177
LEU A  86
ILE A  43
LEU A  27
1.52A21.09
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.
3F33_A_PFLA2001_1
(FERRITIN LIGHT CHAIN)
Propofol4 / 6
LEU A  87
TYR A  37
ARG A  40
LEU A  89
1.25A18.39
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.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)
Diazepam5 / 12
ILE A 281
LEU A 250
LEU A 205
VAL A 204
LEU A 268
1.65A18.70
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.
5DXG_A_ESTA1000_1
(ESTROGEN RECEPTOR)
Estradiol5 / 9
MET A 264
LEU A 208
GLU A 288
LEU A 282
LEU A 253
1.74A20.45
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.
5M54_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)
Paclitaxel5 / 12
VAL A 296
ASP A 295
ALA A 206
THR A 243
GLY A 109
1.38A20.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ND7_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)
Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 268
LEU A 208
ALA A 210
1.37A20.86
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.
5C0O_H_SAMH301_1
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)
S-Adenosylmethionine4 / 5
THR A 111
GLY A 109
GLU A 288
ASP A 295
1.53A21.54
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.
1Z95_A_198A501_2
(ANDROGEN RECEPTOR)
Bicalutamide4 / 6
LEU A 202
ASN A 203
LEU A 208
LEU A 253
1.31A20.18
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.
3SUE_D_SUED1201_1
(NS3 PROTEASE, NS4A
PROTEIN)
Grazoprevir5 / 12
ASP A 295
ARG A 131
GLY A 149
SER A 113
ALA A 129
1.56A23.47
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.
2Z9X_B_PXLB2503_1
(ASPARTATE
AMINOTRANSFERASE)
Pyridoxal5 / 11
VAL A  77
LEU A  89
CYH A  38
THR A  21
VAL A  68
1.77A20.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PH9_A_IBPA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
Ibuprofen5 / 10
VAL A  91
VAL A  20
LEU A  89
GLY A  71
ALA A  70
1.56A20.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ECX_A_SAMA1301_0
(STIE PROTEIN)
S-Adenosylmethionine5 / 12
ASP A 295
ILE A 281
SER A 284
LEU A 287
ILE A 286
1.35A20.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UC1_B_486B801_2
(GLUCOCORTICOID
RECEPTOR)
Mifepristone5 / 12
ASN A  72
GLY A  71
GLN A  19
VAL A  18
LEU A  67
1.54A19.14
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.
2DR2_A_TRPA479_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)
L-Tryptophan5 / 11
TYR A 161
GLY A 149
ILE A 136
CYH A 128
PHE A 140
1.54A21.85
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.
4OK1_A_198A1001_1
(ANDROGEN RECEPTOR)
Bicalutamide5 / 12
LEU A 250
VAL A 297
THR A 257
MET A 264
ILE A 259
1.41A20.36
None