PDB ID: 3sna


Macromolecule:
3C-LIKE PROTEINASE

Source Organism:
SARSr-CoV

Gene names:
-

UniProt ID:
P0C6U8

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

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.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)		Sitagliptin5 / 12
GLY A 109
ARG A 131
VAL A  13
ASN A 151
VAL A 157
1.59A16.99
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.
3UCJ_A_AZMA229_1
(CARBONIC ANHYDRASE)		Acetazolamide5 / 10
ASP A 197
VAL A 171
GLY A 195
ALA A 194
ALA A 193
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.
3KO0_M_TFPM201_1
(PROTEIN S100-A4)		Trifluoperazine4 / 7
GLY A 283
MET A   6
PHE A   3
GLY A   2
1.37A16.27
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.
3ROZ_A_NCAA266_0
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		Nicotinamide4 / 6
LEU A 287
ALA A 211
ASP A 216
LEU A 282
1.34A22.67
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.
2BR4_C_SAMC301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine5 / 12
LEU A 177
LEU A  86
GLY A  29
TYR A  37
CYH A 117
1.48A23.10
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.
2BFM_A_TOPA1290_1
(PTERIDINE REDUCTASE
1)		Trimethoprim5 / 9
PHE A 230
LEU A 268
LEU A 250
LEU A 202
TYR A 209
1.77A24.02
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.
5BXN_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 11
THR A 135
ALA A 173
GLY A 174
THR A 175
CYH A 160
1.47A20.07
23.45
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.
2EIK_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.17A21.54
10.81
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.
5OG9_B_TESB502_1
(-)		Testosterone5 / 12
LEU A 268
LEU A 208
TRP A 207
ILE A 286
LEU A 272
1.55A22.03
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.
1V54_C_CHDC3271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		Cholic Acid4 / 8
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.18A21.54
10.81
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.
4EB6_C_VLBC503_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA CHAIN)		Vinblastine5 / 12
VAL A 204
PRO A 293
ILE A 259
VAL A 212
ILE A 213
1.32A20.77
21.57
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.
3JAY_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine5 / 12
SER A 144
GLU A 166
ARG A 131
ILE A 136
GLU A 290
1.45A14.62
ECC  H   5 ( 3.5A)
ECC  H   5 ( 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.
4XLD_A_BRLA502_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone5 / 12
GLY A  23
CYH A  22
LEU A  57
PHE A  66
LEU A  27
1.47A21.91
None
None
None
None
ECC  H   5 ( 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.
2ITY_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib6 / 12
LEU A 167
GLY A 170
VAL A 171
ALA A 173
LYS A 137
ASP A 197
1.66A21.53
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.
1L4N_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
GLY A   2
PHE A   3
LEU A 282
ARG A   4
GLY A 283
1.74A21.99
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.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		Thioridazine5 / 12
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.30A21.00
ECC  H   5 ( 3.3A)
ECC  H   5 ( 4.9A)
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.
5M24_A_9CRA501_1
(RETINOIC ACID
RECEPTOR GAMMA)		Alitretinoin5 / 12
ALA A 210
LEU A 282
ILE A 281
PHE A 219
ILE A 213
1.41A19.23
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.
5HIE_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib5 / 12
VAL A 125
ALA A   7
PHE A 140
PHE A 150
GLY A 149
1.39A22.29
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.
3U5K_A_08JA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		Midazolam4 / 8
PRO A 293
VAL A 297
LEU A 253
ILE A 249
1.18A18.56
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.
2QMQ_A_BEZA3_0
(PROTEIN NDRG2)		Benzoic Acid4 / 7
TYR A 182
GLN A 107
ARG A 105
HIS A 134
1.79A23.49
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.
4A7B_A_HAEA1273_1
(COLLAGENASE 3)		Acetohydroxamic Acid4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.62A20.13
None
ECC  H   5 ( 4.7A)
None
ECC  H   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ACB_B_DXCB1473_0
(TRANSLATION
ELONGATION FACTOR
SELB)		Deoxycholic Acid4 / 8
ILE A 136
GLY A 138
GLN A 127
ARG A 298
1.16A20.00
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.
4N09_D_ADND401_1
(ADENOSINE KINASE)		Adenosine5 / 12
GLY A  29
GLY A 146
CYH A 117
PHE A 140
GLY A 149
1.52A22.37
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.
5QH0_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.98A21.40
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.
4XUM_A_IMNA502_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin4 / 7
ILE A 286
LEU A 268
ILE A 281
MET A 276
1.44A22.08
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.
4QOG_A_ML1A302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Melatonin4 / 8
PHE A 140
ILE A 136
GLY A 149
ILE A 106
1.15A21.97
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.
4N09_B_ADNB401_2
(ADENOSINE KINASE)		Adenosine4 / 5
LEU A 208
LEU A 282
LEU A 271
ASN A 214
1.19A22.37
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.
4K0S_A_AZMA302_1
(CARBONIC ANHYDRASE 2)		Acetazolamide5 / 11
VAL A 261
LEU A 253
VAL A 247
LEU A 202
THR A 201
1.54A23.78
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.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		Acarbose5 / 12
ASP A 289
ASN A 238
ILE A 106
ARG A 131
HIS A 134
1.79A15.90
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.
6BKK_B_308B101_0
(MATRIX PROTEIN 2)		Amantadine4 / 6
SER A 121
ALA A 116
SER A 123
SER A 147
1.56A6.00
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.
2G78_A_REAA200_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)		Tretinoin5 / 12
ILE A 213
ALA A 210
VAL A 296
VAL A 204
ARG A 131
1.46A18.30
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.
1JFF_B_TA1B601_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 242
THR A 243
GLY A 109
1.26A20.34
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.
6GBN_A_ADNA501_2
(-)		Adenosine4 / 5
GLN A 110
THR A 111
THR A 201
LEU A 250
1.45A20.94
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.
2JN3_A_JN3A131_1
(FATTY ACID-BINDING
PROTEIN, LIVER)		Ursodeoxycholic acid5 / 12
VAL A 114
PHE A 150
THR A 175
LEU A 177
VAL A  13
1.38A16.61
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.
4LA0_A_198A601_1
(SERUM ALBUMIN)		Bicalutamide5 / 10
ARG A 298
ALA A 210
PHE A   3
LYS A   1
PHE A 291
1.78A18.97
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.
2B8J_B_ADNB331_1
(CLASS B ACID
PHOSPHATASE)		Adenosine5 / 10
SER A 158
PHE A 159
LEU A  30
GLY A  15
TYR A 101
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.
1V54_B_CHDB4085_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE II
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART)		Cholic Acid5 / 11
MET A  17
GLY A  29
GLN A  19
THR A  21
GLY A 143
1.66A20.23
23.25
14.33
None
None
None
None
ECC  H   5 ( 3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		Vidarabine5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.77A19.72
ECC  H   5 ( 4.3A)
ECC  H   5 ( 4.9A)
None
ECC  H   5 ( 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.
3OI8_A_ADNA2_1
(UNCHARACTERIZED
PROTEIN)		Adenosine4 / 6
ILE A 249
HIS A 246
LEU A 250
ASP A 248
1.45A20.53
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.
1FM6_X_BRLX504_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone5 / 12
GLY A 179
CYH A  85
HIS A  41
LEU A  27
LEU A  87
1.43A22.58
None
None
ECC  H   5 ( 4.3A)
ECC  H   5 ( 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.
4XO7_B_ASDB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		4-Androstenedione4 / 7
TYR A 239
VAL A 204
TRP A 207
ILE A 281
1.55A21.33
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.
1NBI_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 170
THR A 169
SER H   2
GLY A 138
HIS A 163
1.52A22.85
None
None
None
None
ECC  H   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HB6_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 8
ILE A  43
LEU A  87
ILE A  59
GLY A  79
1.04A11.54
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.
3OGP_A_017A200_1
(FIV PROTEASE)		Darunavir5 / 9
GLY A 195
ALA A 194
ASP A 197
GLY A 183
LEU A 167
1.53A18.94
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.
1FDS_A_ESTA350_1
(17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE)		Estradiol5 / 12
VAL A 148
LEU A 115
TYR A 126
GLY A 146
SER A 121
1.57A20.73
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.
3G1U_A_ADNA438_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
HIS A  41
ASP A 187
LEU A  27
GLY A 146
HIS A 163
1.79A20.00
ECC  H   5 ( 4.3A)
None
ECC  H   5 ( 4.9A)
None
ECC  H   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DPD_A_SAMA601_0
(PROTEIN LYSINE
METHYLTRANSFERASE 1)		S-Adenosylmethionine6 / 12
TYR A 101
LEU A  87
SER A  81
VAL A  36
VAL A  68
VAL A  20
1.78A18.59
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.
6AK3_A_P2EA1201_0
(PROSTAGLANDIN E2
RECEPTOR EP3
SUBTYPE,SOLUBLE
CYTOCHROME B562)		Dinoprostone5 / 12
GLN A  19
VAL A  36
TYR A  37
THR A  35
TRP A  31
1.67A19.39
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.
3BF6_H_SVRH301_1
(THROMBIN, HEAVY
CHAIN)		Suramin5 / 11
HIS A 164
PRO A  39
ARG A  40
VAL A 148
GLY A  11
1.69A20.63
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.
4M2V_A_BZ1A302_1
(CARBONIC ANHYDRASE 2)		Brinzolamide5 / 12
LEU A  27
VAL A  20
VAL A  68
LEU A  89
THR A  35
1.39A22.26
ECC  H   5 ( 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.
1EIZ_A_SAMA301_0
(FTSJ)		S-Adenosylmethionine5 / 12
ALA A  70
GLY A  29
LEU A  87
LEU A  89
LEU A  27
1.33A18.12
None
None
None
None
ECC  H   5 ( 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.
4U15_A_0HKA2001_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M3,LYSOZYME,MUSCARIN
IC ACETYLCHOLINE
RECEPTOR M3)		Tiotropium3 / 3
ASN A 221
PHE A 219
TYR A 209
1.37A22.57
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.
1MMK_A_H4BA1427_1
(PHENYLALANINE-4-HYDR
OXYLASE)		Sapropterin5 / 12
TYR A 118
LEU A 141
GLU A 166
HIS A 172
TYR A 126
1.61A20.81
None
None
ECC  H   5 ( 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.
2XZ5_B_ACHB1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Acetylcholine4 / 7
VAL A 204
TYR A 237
TYR A 239
ILE A 286
1.76A22.04
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.
4FOG_D_C2FD302_0
(THYMIDYLATE SYNTHASE)		Levomefolic acid5 / 11
ILE A 259
LEU A 242
LEU A 253
GLY A 251
ALA A 206
1.69A21.67
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.
5M5K_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 4
GLN A 110
THR A 111
THR A 201
LEU A 250
1.40A19.84
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.
3N58_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.77A21.59
ECC  H   5 ( 4.3A)
ECC  H   5 ( 4.9A)
None
ECC  H   5 ( 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.
4OK1_A_198A1001_1
(ANDROGEN RECEPTOR)		Bicalutamide5 / 12
LEU A 250
VAL A 297
THR A 257
MET A 264
ILE A 259
1.42A20.25
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.
5W3J_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel4 / 8
VAL A  36
PRO A  39
GLY A 146
LEU A  27
1.22A19.74
None
None
None
ECC  H   5 ( 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.
1PCG_B_ESTB2_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU A 220
ALA A 267
GLU A 270
MET A 276
LEU A 208
1.74A22.22
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.
5CZ7_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 11
THR A 135
CYH A 128
ALA A 173
THR A 175
CYH A 160
1.74A20.07
23.45
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.
2EJT_A_SAMA501_0
(N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 208
ALA A 206
ILE A 200
ALA A 211
PHE A 219
1.49A21.77
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.
4PBH_A_BEZA401_0
(TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT, PUTATIVE)		Benzoic Acid5 / 12
ILE A 259
THR A 257
ALA A 211
LEU A 220
ASP A 216
1.62A21.27
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.
4YV5_A_SVRA205_1
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		Suramin4 / 7
ASN A  84
LYS A 180
TYR A 161
PHE A 150
1.48A16.56
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.
5QGW_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.94A21.40
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.
3DH0_A_SAMA220_1
(SAM DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine4 / 8
LYS A   5
ASP A 295
GLN A 127
GLU A 288
1.77A18.60
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.
2HXF_B_TA1B601_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 242
THR A 243
GLY A 109
1.26A20.34
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.
3V81_A_NVPA901_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		Nevirapine4 / 8
LEU A 268
VAL A 233
TYR A 239
LEU A 205
1.33A17.74
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.
2DDW_A_PXLA1003_1
(PYRIDOXINE KINASE)		Pyridoxal5 / 8
VAL A  68
VAL A  77
LEU A  67
HIS A  64
ASP A  92
1.64A20.53
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.
3BXO_B_SAMB238_0
(N,N-DIMETHYLTRANSFER
ASE)		S-Adenosylmethionine5 / 12
GLY A 138
LEU A 115
MET A 165
SER A 144
TYR A 118
1.58A22.48
None
None
None
ECC  H   5 ( 3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CFQ_A_DIFA1_1
(TRANSTHYRETIN)		Diclofenac4 / 6
ALA A 191
LEU A 167
SER H   2
THR A 190
1.36A17.78
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.
2BXP_A_P1ZA3001_1
(SERUM ALBUMIN)		Phenylbutazone6 / 12
PHE A 230
PHE A 219
LEU A 268
LEU A 287
ILE A 281
ALA A 206
1.50A18.97
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.
4HTF_A_SAMA301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A  29
GLY A 146
SER A 121
VAL A  20
VAL A  68
1.42A21.10
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.
1DMA_A_NCAA700_0
(EXOTOXIN A)		Nicotinamide4 / 7
HIS A 164
GLY A 174
LEU A 167
ALA A 173
1.30A20.40
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.
5HFJ_A_SAMA301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ALA A 194
PRO A 184
PHE A 185
GLY A 174
TYR A 182
1.69A19.87
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.
4QTU_B_SAMB301_1
(PUTATIVE
METHYLTRANSFERASE
BUD23)		S-Adenosylmethionine4 / 5
GLN A 189
SER H   4
ASP A  48
ASP A  56
1.77A21.34
None
ECC  H   5 ( 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.
2COJ_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		Gabapentin5 / 9
TYR A 126
VAL A 114
MET A 130
THR A 135
ALA A 173
1.67A22.90
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.
3P2K_A_SAMA6735_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
GLY A 109
ASN A 151
PRO A 132
PHE A 294
THR A 201
1.51A22.29
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.
5LF3_N_BO2N304_1
(PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 12
THR A  26
THR A  25
THR A  24
SER A 144
GLY A 143
1.32A20.46
None
None
None
ECC  H   5 ( 3.5A)
ECC  H   5 ( 3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AOC_C_ERYC3402_0
(ACRIFLAVINE
RESISTANCE PROTEIN B)		Erythromycin5 / 12
SER H   4
PHE A 112
ILE A 106
LEU A  87
ASP A 187
1.69A0.76
ECC  H   5 ( 4.7A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J7X_F_SASF805_1
(SEPIAPTERIN
REDUCTASE)		Sulfasalazine5 / 12
CYH A 128
PHE A 112
TYR A 126
ASP A 176
GLY A 174
1.55A23.46
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.
3DCO_B_TA1B601_1
(BOVINE BETA TUBULIN)		Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 242
THR A 243
GLY A 109
1.26A20.34
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.
2DYR_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.19A21.54
10.81
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.
2OCF_A_ESTA596_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU A 220
ALA A 267
GLU A 270
MET A 276
LEU A 208
1.71A22.66
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.
4N48_B_SAMB601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		S-Adenosylmethionine5 / 12
GLY A 275
GLY A 278
LEU A 272
ASN A 274
THR A 201
1.29A21.52
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		Tiopronin4 / 7
HIS A  41
CYH A 145
GLY A 174
HIS A 163
1.52A19.58
ECC  H   5 ( 4.3A)
ECC  H   5 ( 1.7A)
None
ECC  H   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QH6_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.92A21.40
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.
5D0Y_A_FOLA201_0
(CONSERVED
HYPOTHETICAL
MEMBRANE PROTEIN)		Folic Acid5 / 12
LEU A 167
GLY A 138
ASP A 289
THR A 199
ASN A 133
1.53A20.26
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.
4FN9_B_STRB301_1
(STEROID RECEPTOR 2)		Progesterone5 / 12
LEU A 202
ASN A 203
LEU A 205
ALA A 206
THR A 111
1.33A21.43
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.
1AEG_A_4APA296_1
(CYTOCHROME C
PEROXIDASE)		Dalfampridine4 / 8
GLY A 183
GLY A 174
MET A 165
LEU A 167
1.24A22.94
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.
3LK0_D_Z80D92_1
(PROTEIN S100-B)		Chlorpromazine3 / 3
HIS A 172
PHE A 185
PHE A 181
1.55A13.79
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.
3QOW_A_SAMA417_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
THR A 135
ASP A 197
GLU A 240
1.00A19.82
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.
3FRQ_B_ERYB195_1
(REPRESSOR PROTEIN
MPHR(A))		Erythromycin4 / 7
TYR A 161
ARG A 131
ASN A 133
ALA A 173
1.58A20.98
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.
5QHC_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
1.01A21.40
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.
5QH4_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.97A21.40
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.
5X19_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
1.74A20.23
23.25
14.33
None
None
None
None
ECC  H   5 ( 3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.17A21.54
10.81
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.
5B1B_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.14A21.54
10.81
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.
2G70_A_SAMA2001_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 7
TYR A 182
GLY A 179
THR A 175
ASN A  84
1.15A21.11
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.
1WPU_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		L-Histidine4 / 6
ARG A 217
ILE A 259
GLY A 258
ALA A 255
1.30A19.74
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.
5L2I_A_LQQA900_1
(CYCLIN-DEPENDENT
KINASE 6)		Palbociclib5 / 12
VAL A 157
VAL A 148
PHE A 150
THR A  35
LEU A  30
1.40A21.59
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.
2CML_A_ZMRA1478_1
(NEURAMINIDASE)		Zanamivir4 / 7
SER A 123
SER A 121
ASN A 119
GLN A  19
1.57A21.43
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.
5QH2_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.95A21.40
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.
1DMY_B_AZMB900_1
(MURINE CARBONIC
ANHYDRASE V)		Acetazolamide5 / 12
VAL A 261
TYR A 209
VAL A 247
LEU A 202
THR A 201
1.56A20.92
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.
1A28_B_STRB2_1
(PROGESTERONE
RECEPTOR)		Progesterone5 / 12
LEU A 202
LEU A 205
LEU A 268
LEU A 253
THR A 292
1.57A18.84
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.
5KOX_A_RFPA502_2
(PENTACHLOROPHENOL
4-MONOOXYGENASE)		Rifampicin3 / 3
VAL A 114
ARG A  40
PRO A  39
1.36A20.16
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.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Raltitrexed5 / 12
ALA A 211
ASN A 277
LEU A 271
PHE A 219
TYR A 237
1.61A21.30
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.
6F3N_A_ADNA505_1
(-)		Adenosine5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.74A20.97
ECC  H   5 ( 4.3A)
ECC  H   5 ( 4.9A)
None
ECC  H   5 ( 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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		Doxercalciferol6 / 12
THR A 226
ASN A 228
VAL A 233
ALA A 234
ALA A 266
MET A 235
1.59A20.95
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.
5M50_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL A 212
ASP A 216
LEU A 202
THR A 201
LEU A 268
1.52A20.79
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.
5N0X_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ILE A 136
TYR A 182
GLY A 174
HIS A 164
TYR A 126
1.46A21.77
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.
5X1B_O_CHDO302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLY A 143
MET A  17
GLY A  29
GLN A  19
THR A  21
1.67A14.33
20.23
23.25
ECC  H   5 ( 3.3A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D90_B_NOGB2001_1
(PROGESTERONE
RECEPTOR)		Levonorgestrel5 / 12
LEU A 220
ASN A 221
GLN A 273
LEU A 272
LEU A 205
1.48A18.63
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.
1SN0_C_T44C601_1
(TRANSTHYRETIN)		Levothyroxine5 / 9
LEU A 202
LEU A 250
LEU A 208
GLU A 288
ALA A 206
1.74A17.06
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.
5TT3_F_EZLF302_1
(ALPHA-CARBONIC
ANHYDRASE)		Ethoxzolamide4 / 8
HIS A 246
VAL A 247
LEU A 205
THR A 201
1.42A21.86
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.
4WS0_A_URFA301_1
(URACIL-DNA
GLYCOSYLASE)		Fluorouracil4 / 7
GLY A 146
TYR A 118
ASN A  28
HIS A 163
1.37A22.44
None
None
None
ECC  H   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BSH_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT
REVERSE
TRANSCRIPTASE P51
SUBUNIT)		Efavirenz5 / 11
LEU A  86
VAL A 148
GLY A 146
LEU A 177
TYR A  37
1.70A18.36
20.81
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.
6BSI_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT)		Efavirenz5 / 10
LEU A  86
VAL A 148
GLY A 146
LEU A 177
TYR A  37
1.66A18.36
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.
1D0V_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 8
GLY A   2
PHE A   3
LEU A 282
ARG A   4
GLY A 283
1.74A21.99
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.
2OW9_A_HAEA502_1
(COLLAGENASE 3)		Acetohydroxamic Acid4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.58A20.74
None
ECC  H   5 ( 4.7A)
None
ECC  H   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		Baclofen4 / 8
SER A 147
SER A 144
TYR A 126
GLU A 166
1.62A22.93
None
ECC  H   5 ( 3.5A)
None
ECC  H   5 ( 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.
1RUA_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		Benzoic Acid5 / 10
ALA A 116
TYR A 126
LEU A 115
GLY A 149
PHE A 112
1.80A21.52
21.43
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.
3EKP_B_478B200_1
(PROTEASE)		Amprenavir5 / 8
ASP A 216
GLY A 215
ALA A 211
ILE A 259
ILE A 281
1.56A18.02
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.
1AZM_A_AZMA262_1
(CARBONIC ANHYDRASE I)		Acetazolamide4 / 8
PHE A 181
HIS A 163
HIS A 172
LEU A 167
1.59A21.66
None
ECC  H   5 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNF_C_QPSC602_2
(-)		Acarbose5 / 12
HIS A 163
ASN A 133
GLN A 192
PRO A 184
GLY A 195
1.70A20.80
ECC  H   5 ( 4.1A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HXH_B_TA1B601_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 242
THR A 243
GLY A 109
1.26A20.34
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.
4M2W_A_ETSA302_1
(CARBONIC ANHYDRASE 2)		Dorzolamide5 / 12
LEU A  27
VAL A  20
VAL A  68
LEU A  89
THR A  35
1.38A22.57
ECC  H   5 ( 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.
5XU8_A_DX4A701_0
(UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 2)		Tioguanine4 / 8
GLY A 124
LEU A 115
SER A 113
ALA A   7
1.20A21.78
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.
5HNW_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 268
LEU A 208
LEU A 287
1.38A20.47
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.
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
1.77A20.23
23.25
14.33
None
None
None
None
ECC  H   5 ( 3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T46_A_STIA3_1
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		Imatinib6 / 12
LEU A 282
ALA A 211
LEU A 253
GLY A   2
ASP A 295
PHE A 291
1.77A19.64
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.
4NC3_A_ERMA1202_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		Ergotamine4 / 6
THR A  26
LEU A  89
GLN A  83
LEU A  86
1.31A20.79
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.
5D0X_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 12
THR A 135
CYH A 128
ALA A 173
THR A 175
CYH A 160
1.70A20.07
23.45
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.
3EEO_A_SAMA328_0
(MODIFICATION
METHYLASE HHAI)		S-Adenosylmethionine5 / 12
LEU A  30
GLY A  29
ASP A  33
ILE A  78
ASN A  95
1.12A19.72
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.
4JLG_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		S-Adenosylmethionine5 / 12
ILE A  43
GLU A  55
GLY A 179
ASN A  84
HIS A  41
1.33A19.00
None
None
None
None
ECC  H   5 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DX7_A_DM2A1106_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		Epirubicin5 / 11
LEU A 202
THR A 111
ALA A 129
ARG A 298
GLN A 127
1.62A14.90
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.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		Acarbose5 / 12
ASP A 289
ASN A 238
ILE A 106
ARG A 131
HIS A 134
1.75A15.90
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.
6BRD_C_RFPC502_1
(RIFAMPIN
MONOOXYGENASE)		Rifampicin6 / 12
VAL A  91
VAL A  68
GLY A 146
VAL A 148
PHE A 150
GLY A  15
1.55A18.63
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.
4OLT_B_GCSB301_1
(CHITOSANASE)		Glucosamine3 / 3
GLY A 183
PRO A 184
GLN A 192
1.61A24.06
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.
3R9C_A_ECLA452_1
(CYTOCHROME P450
164A2)		Econazole6 / 12
SER A 254
LEU A 205
LEU A 208
ALA A 267
ASN A 221
LEU A 220
1.53A20.57
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.
3TTR_A_LQZA90_1
(LACTOTRANSFERRIN)		Lidocaine3 / 3
PRO A 241
THR A 243
LEU A 202
1.37A24.19
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.
2UVN_B_ECNB1406_1
(CYTOCHROME P450 130)		Econazole5 / 11
PRO A  39
GLY A  29
LEU A 177
TYR A 161
VAL A 148
1.65A21.65
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.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		Adenosine5 / 12
SER A 144
TYR A 161
GLY A 124
TYR A 126
HIS A 172
1.62A24.01
ECC  H   5 ( 3.5A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BQ4_A_ADNA401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		Adenosine5 / 12
ILE A 249
ASP A 248
ALA A 206
LEU A 253
ALA A 255
1.44A21.35
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.
4XEY_A_1N1A601_2
(TYROSINE-PROTEIN
KINASE ABL1)		Dasatinib3 / 3
MET A 130
ASP A 176
PHE A 103
1.42A22.06
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.
2VDB_A_NPSA1591_1
(SERUM ALBUMIN)		Naproxen4 / 8
HIS A  41
LEU A  86
TYR A 161
GLY A 146
1.43A18.83
ECC  H   5 ( 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.
3KHM_A_TPFA501_1
(STEROL 14
ALPHA-DEMETHYLASE)		Fluconazole4 / 8
TYR A 209
ALA A 267
ALA A 266
THR A 225
1.28A20.26
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.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)		Benzoic Acid5 / 12
VAL A 114
ILE A 136
GLY A 138
HIS A 163
HIS A 172
1.70A22.19
None
None
None
ECC  H   5 ( 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.
6A93_A_8NUA3001_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		Risperidone5 / 12
SER A 254
ILE A 281
LEU A 262
LEU A 242
TYR A 209
1.60A21.26
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.
1L5K_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
GLY A   2
PHE A   3
LEU A 282
ARG A   4
GLY A 283
1.72A21.99
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.
6ECE_C_DVAC3010_0
(VLM2
DODECADEPSIPEPTIDE)		L-Valine3 / 3
ALA A 206
PHE A 291
GLN A 299
1.40A21.04
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.
1C6Z_B_ROCB505_1
(PROTEIN (PROTEASE))		Saquinavir5 / 12
ILE A 106
GLY A 109
ILE A 200
THR A 135
ILE A 136
1.26A17.06
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.
5D0Y_B_FOLB201_0
(CONSERVED
HYPOTHETICAL
MEMBRANE PROTEIN)		Folic Acid5 / 12
LEU A  30
ASN A 151
PHE A 150
VAL A  13
HIS A 164
1.76A20.26
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.
3P2K_C_SAMC6735_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
GLY A  29
ASN A  28
LEU A  89
PHE A  66
LEU A  75
1.45A22.29
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.
4N49_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
1.61A21.52
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.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Erlotinib5 / 12
LEU A  30
VAL A 148
CYH A  38
LEU A  86
THR A 175
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.
1ZLQ_A_ACTA1502_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		Acetic acid4 / 5
TRP A 218
GLY A 275
ASN A 277
GLY A 278
1.74A20.24
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.
2BYO_A_LNLA1216_1
(LIPOPROTEIN LPPX)		Alpha-Linolenic Acid4 / 5
LEU A 271
ILE A 281
LEU A 282
SER A 284
1.30A22.26
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.
3PS9_A_SAMA670_1
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)		S-Adenosylmethionine4 / 6
GLY A 174
THR A 175
LEU A  86
ASP A 187
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.
3MG0_2_BO221405_1
(PROTEASOME COMPONENT
PRE3
PROTEASOME COMPONENT
PUP1)		Bortezomib5 / 12
THR A  26
THR A  25
THR A  24
SER A 144
GLY A 143
1.33A22.15
19.41
None
None
None
ECC  H   5 ( 3.5A)
ECC  H   5 ( 3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_B_TFPB202_1
(PROTEIN S100-A4)		Trifluoperazine3 / 3
GLU A  55
LEU A  58
ASP A  56
1.24A16.27
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.
5QH1_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.95A21.40
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.
1SGU_B_MK1B2632_2
(POL POLYPROTEIN)		Indinavir6 / 12
ARG A 131
GLY A 174
ASP A 176
ILE A 106
GLY A 149
ALA A 129
1.80A16.55
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.
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
1.46A20.93
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.
3OF4_B_ACTB313_0
(NITROREDUCTASE)		Acetic acid3 / 3
ALA A 234
VAL A 233
GLN A 273
1.30A20.82
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.
4FEV_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 7
ASP A 197
ASN A 203
GLU A 290
GLU A 240
1.50A22.96
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		Ergocalciferol6 / 12
THR A 226
ASN A 228
VAL A 233
ALA A 234
ALA A 266
MET A 235
1.57A20.95
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.
1HWI_B_115B1_1
(HMG-COA REDUCTASE)		Fluvastatin5 / 9
CYH A 265
HIS A 246
LEU A 202
ALA A 206
LEU A 253
1.66A19.83
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.
4HFP_D_15UD402_1
(PROTHROMBIN)		Argatroban5 / 12
TYR A 239
LEU A 268
ALA A 210
GLU A 288
ALA A 206
1.42A20.63
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.
4ZE1_A_X2NA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Posaconazole5 / 12
GLY A 143
LEU A 167
PHE A 185
GLY A 183
HIS A 163
1.55A19.89
ECC  H   5 ( 3.3A)
None
None
None
ECC  H   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q70_A_RITA2001_1
(CANDIDAPEPSIN-2)		Ritonavir5 / 12
ILE A 136
GLY A 149
GLY A 146
SER A 144
THR A 175
1.39A23.45
None
None
None
ECC  H   5 ( 3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FSA_B_X2NB590_1
(CYP51 VARIANT1)		Posaconazole5 / 12
GLY A 143
LEU A 167
PHE A 185
GLY A 183
HIS A 163
1.48A19.59
ECC  H   5 ( 3.3A)
None
None
None
ECC  H   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z85_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.17A21.54
10.81
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.
1G50_A_ESTA600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU A 220
ALA A 267
GLU A 270
MET A 276
LEU A 208
1.66A20.62
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.
4EJW_A_SRYA2001_2
(TRANSCRIPTIONAL
REGULATOR TCAR)		Streptomycin4 / 6
GLU A 290
ILE A 200
ASN A 203
VAL A 104
1.42A18.94
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.
2ZMA_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		Aminocaproic Acid4 / 8
ALA A 129
ILE A 136
TYR A 161
HIS A 163
1.37A22.30
None
None
None
ECC  H   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQG_B_IBPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		Ibuprofen5 / 11
SER A 139
LEU A 141
TYR A 161
ALA A 116
SER A 147
1.40A18.26
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.
2Q72_A_IXXA801_1
(TRANSPORTER)		Imipramine5 / 11
LEU A 271
LEU A 272
VAL A 233
ALA A 234
LEU A 205
1.56A19.77
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.
2ZXW_B_CHDB1086_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 6A2
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 11
MET A  17
GLY A  29
GLN A  19
THR A  21
GLY A 143
1.64A20.23
23.25
14.33
None
None
None
None
ECC  H   5 ( 3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LJC_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
LEU A 220
ALA A 267
LEU A 271
PHE A 219
LEU A 227
1.64A20.74
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.
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
1.62A22.79
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.
3NS1_C_PM6C1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Mercaptopurine4 / 6
GLU A 270
PHE A 223
ALA A 267
ALA A 266
1.47A17.97
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.
4QVY_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2)		Bortezomib5 / 11
THR A 135
CYH A 128
ALA A 173
GLY A 174
THR A 175
1.39A20.07
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.
5AXD_A_RBVA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Ribavirin3 / 3
THR A 257
HIS A 246
LEU A 205
1.29A21.28
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.
2ZJ0_B_2FAB500_1
(ADENOSYLHOMOCYSTEINA
SE)		Fludarabine5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.77A20.12
ECC  H   5 ( 4.3A)
ECC  H   5 ( 4.9A)
None
ECC  H   5 ( 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.
2V0G_A_LEUA1887_0
(AMINOACYL-TRNA
SYNTHETASE)		L-Leucine4 / 8
SER A 144
TYR A 161
HIS A 172
HIS A 163
1.42A15.03
ECC  H   5 ( 3.5A)
None
None
ECC  H   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CHG_C_SAMC1101_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-4 SPECIFIC)		S-Adenosylmethionine5 / 12
ILE A 200
PHE A 291
ASN A 203
HIS A 246
LEU A 242
1.50A18.57
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.
5C0O_F_SAMF301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		S-Adenosylmethionine5 / 12
GLY A 174
GLY A 183
HIS A 164
ASP A 176
LEU A 177
1.20A20.52
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.
2OAX_F_SNLF6001_2
(MINERALOCORTICOID
RECEPTOR)		Spironolactone4 / 5
LEU A 287
LEU A 268
LEU A 242
MET A 235
1.56A22.80
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.
4F4D_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 8
ILE A 152
ARG A 298
PRO A 122
VAL A 125
1.67A19.84
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.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)		Parecoxib3 / 3
PRO A  52
GLU A  55
TYR A  54
1.48A24.19
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.
2BTE_A_LEUA1894_0
(AMINOACYL-TRNA
SYNTHETASE)		L-Leucine4 / 8
SER A 144
TYR A 161
HIS A 172
HIS A 163
1.30A15.03
ECC  H   5 ( 3.5A)
None
None
ECC  H   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OV9_A_CVIA608_0
(ACETYLCHOLINESTERASE)		Gentian Violet5 / 7
ASP A  33
THR A  35
LEU A  32
THR A  98
VAL A 157
1.73A19.96
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.
1TBF_A_VIAA501_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Sildenafil5 / 9
LEU A 272
ALA A 206
LEU A 208
MET A 264
PHE A 230
1.57A22.16
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.
5T8H_B_478B401_3
(PROTEASE)		Amprenavir3 / 3
ASP A 263
LEU A 205
ILE A 213
0.90A15.46
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.
5ODI_G_ACTG702_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)		Acetic acid3 / 3
GLY A 143
THR A  26
ASN A  28
0.95A20.43
ECC  H   5 ( 3.3A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7W_B_SALB1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		Salicylic acid5 / 10
THR A  25
PHE A  66
HIS A  41
PRO A  39
ILE A  43
1.56A21.43
None
None
ECC  H   5 ( 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.
4R3A_B_RBFB402_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		Riboflavin5 / 12
ARG A 217
ILE A 213
ILE A 281
LEU A 282
GLY A   2
1.26A20.72
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.
3UWL_B_FOZB316_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 12
LEU A 272
LEU A 262
LEU A 208
ASN A 221
TYR A 209
1.45A22.69
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.
4NJT_B_017B101_1
(PROTEASE)		Darunavir5 / 11
ILE A 106
GLY A 109
ILE A 200
THR A 135
ILE A 136
1.25A15.36
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.
3CS9_D_NILD600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Nilotinib5 / 12
ALA A 129
VAL A 157
ILE A 152
THR A 111
ALA A   7
1.38A20.72
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.
1JHQ_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 8
GLY A   2
PHE A   3
LEU A 282
ARG A   4
GLY A 283
1.73A21.99
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.
3PYY_B_STIB4_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		Imatinib6 / 12
LEU A 253
VAL A 296
ALA A 210
GLU A 288
ILE A 286
ASP A 289
1.77A20.83
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.
1T88_A_CAMA1422_0
(CYTOCHROME P450-CAM)		Camphor4 / 7
LEU A 115
VAL A 148
GLY A 149
VAL A 157
1.22A21.50
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.
3NXU_A_RITA600_1
(CYTOCHROME P450 3A4)		Ritonavir5 / 12
SER A 123
PHE A 159
PHE A 140
ALA A   7
GLY A 149
1.25A22.13
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.
1YA3_B_STRB2001_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
LEU A 227
ASN A 231
ALA A 234
LEU A 205
THR A 243
1.49A23.13
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.
5BXN_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 11
THR A 135
ALA A 173
GLY A 174
THR A 175
CYH A 160
1.45A20.07
23.45
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.
5QHH_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.96A21.40
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.
5XDH_A_DAHA60_1
(PUTATIVE CYTOCHROME
C)		Levodopa4 / 6
HIS A 164
ASN A  28
VAL A 148
LEU A 177
1.58A14.39
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.
3A50_A_VD3A2001_1
(VITAMIN D
HYDROXYLASE)		Cholecalciferol5 / 12
THR A 243
ILE A 249
ASN A 228
LEU A 202
ALA A 206
1.56A21.85
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.
4IB4_A_ERMA2001_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		Ergotamine4 / 7
THR A  26
LEU A  89
GLN A  83
LEU A  86
1.26A20.79
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.
1XZX_X_T3X500_2
(THYROID HORMONE
RECEPTOR BETA-1)		Liothyronine3 / 3
PHE A 181
ARG A  88
ASN A  84
1.07A22.56
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.
3AG2_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.17A21.54
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.
3R0L_D_ACTD127_0
(PHOSPHOLIPASE A2 CB)		Acetic acid4 / 5
PHE A 181
GLY A 179
CYH A  85
HIS A 164
1.79A17.16
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.
6HWD_H_BO2H301_0
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 12
THR A 135
CYH A 128
ALA A 173
GLY A 174
THR A 175
1.49A20.07
23.45
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.
2I30_A_SALA1100_1
(SERUM ALBUMIN)		Salicylic acid4 / 6
HIS A 172
PHE A 140
ARG A 131
LYS A 137
1.55A18.97
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.
5ZCO_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.16A21.54
10.81
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.
4NJV_D_RITD500_1
(PROTEASE)		Ritonavir5 / 11
ILE A 106
GLY A 109
ILE A 200
THR A 135
ILE A 136
1.20A15.36
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.
2YGN_A_ACTA1181_0
(WNT INHIBITORY
FACTOR 1)		Acetic acid3 / 3
TYR A 209
VAL A 261
THR A 257
1.37A19.80
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.
1JHV_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 8
GLY A   2
PHE A   3
LEU A 282
ARG A   4
GLY A 283
1.75A21.99
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.
2P4N_B_TA1B601_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 242
THR A 243
GLY A 109
1.25A20.34
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.
3OXV_C_478C200_1
(HIV-1 PROTEASE)		Amprenavir5 / 9
ASP A 176
VAL A 104
GLY A 149
VAL A 114
ILE A 106
1.45A17.31
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.
5QGZ_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.94A21.40
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.
2F16_H_BO2H1400_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		Bortezomib5 / 11
THR A 135
ALA A 173
GLY A 174
THR A 175
CYH A 160
1.49A19.41
23.08
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.
4HB8_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 8
ILE A  43
LEU A  87
ILE A  59
GLY A  79
0.95A11.54
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.
4JLG_B_SAMB401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		S-Adenosylmethionine5 / 11
ILE A  43
GLU A  55
GLY A 179
ASN A  84
HIS A  41
1.34A19.00
None
None
None
None
ECC  H   5 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VCV_L_ASDL1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		4-Androstenedione5 / 7
PHE A 185
PRO A 168
ALA A 194
ALA A 173
PHE A 181
1.79A20.54
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.
5G5G_B_ACTB1321_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT)		Acetic acid3 / 3
THR A 224
ASP A 263
ALA A 266
1.36A23.48
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.
1HXW_B_RITB301_1
(HIV-1 PROTEASE)		Ritonavir5 / 9
GLY A 215
GLY A 258
ILE A 259
VAL A 296
ILE A 213
1.51A16.96
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.
4IKL_B_SUZB201_1
(TRANSTHYRETIN)		Sulindac5 / 8
SER H   4
ALA A 191
LEU A 167
SER H   2
THR A 190
1.56A5.66
ECC  H   5 ( 4.7A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5D_A_SAMA306_1
(METHYLTRANSFERASE)		S-Adenosylmethionine4 / 7
LEU A  50
SER H   4
ILE A  43
ASN A  53
1.07A22.04
None
ECC  H   5 ( 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.
1MXG_A_ACRA443_1
(ALPHA AMYLASE)		Acarbose4 / 8
SER A 284
THR A 280
LEU A 271
GLU A 270
1.64A19.78
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.
5AAB_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		Crizotinib5 / 10
LEU A 167
VAL A 171
ALA A 173
LYS A 137
ASP A 197
1.43A22.41
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.
3RQW_C_ACHC323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		Acetylcholine4 / 8
PHE A 159
TYR A 101
TYR A  37
LEU A  30
1.10A20.90
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.
2EIN_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
LYS A 269
LEU A 268
LEU A 208
PHE A 219
1.44A21.54
10.81
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.
6MDQ_A_TESA604_0
(SERUM ALBUMIN)		Testosterone4 / 8
ALA A 194
GLY A 170
LEU A 167
ALA A 173
1.02A17.35
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.
2EIM_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
LYS A 269
LEU A 268
LEU A 208
PHE A 219
1.42A21.54
10.81
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.
3EBZ_B_017B201_2
(PROTEASE)		Darunavir5 / 11
LEU A 220
GLY A 215
ALA A 211
VAL A 296
ILE A 259
1.28A15.86
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.
4AQ7_A_LEUA902_0
(LEUCINE--TRNA LIGASE)		L-Leucine4 / 7
LEU A 141
SER A 139
HIS A 163
HIS A 172
1.65A14.71
None
None
ECC  H   5 ( 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.
6AY6_A_VORA501_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		Voriconazole5 / 9
TYR A 209
ALA A 266
THR A 225
LEU A 262
LEU A 242
1.59A18.95
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.
2OAX_C_SNLC3001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU A 227
ASN A 231
ALA A 234
LEU A 205
THR A 243
1.47A22.80
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.
3RQW_I_ACHI323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		Acetylcholine4 / 8
PHE A 159
TYR A 101
TYR A  37
LEU A  30
1.09A20.90
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.
4FP9_D_SAMD401_0
(METHYLTRANSFERASE
NSUN4)		S-Adenosylmethionine5 / 12
PRO A  39
GLY A 146
GLY A  29
ASN A 142
SER H   4
1.47A19.95
None
None
None
ECC  H   5 ( 4.4A)
ECC  H   5 ( 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.
2AVV_A_MK1A901_1
(POL POLYPROTEIN)		Indinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.76A15.62
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.
2F6D_A_ACRA995_1
(GLUCOAMYLASE GLU1)		Acarbose5 / 12
ALA A 211
ARG A 279
ASP A 216
GLY A 275
GLU A 270
1.64A20.52
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.
5ND7_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
ASP A 289
GLU A 240
ALA A 234
PHE A 230
LEU A 205
1.52A20.34
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.
2A15_A_NCAA1001_0
(HYPOTHETICAL PROTEIN
RV0760C)		Nicotinamide5 / 11
SER A  65
VAL A  77
LEU A  89
LEU A  58
LEU A  87
1.60A18.60
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.
5QHE_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
1.00A21.40
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.
5Y7Z_B_IREB401_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 12
GLU A  14
LEU A 115
LEU A 177
LEU A  32
CYH A  16
1.28A20.47
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.
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
1.38A21.71
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.
3ETE_C_H3PC552_1
(GLUTAMATE
DEHYDROGENASE)		Hexachlorophene3 / 3
TYR A 126
TYR A 161
GLY A 138
0.42A18.91
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.
3ASN_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.17A21.54
10.81
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.
1UTD_P_TRPP81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 11
GLY A 283
ALA A 211
ILE A 281
GLY A   2
ALA A 210
1.41A13.89
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.
1V55_C_CHDC3271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		Cholic Acid4 / 7
LYS A 269
LEU A 268
LEU A 208
PHE A 219
1.44A21.54
10.81
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.
4IFG_A_1E8A601_1
(CALMODULIN-DOMAIN
PROTEIN KINASE 1)		Ibrutinib6 / 12
GLY A 215
MET A 264
LEU A 250
LEU A 253
LEU A 220
ILE A 259
1.43A19.96
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.
3EM0_B_CHDB500_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid4 / 7
LYS A   5
GLU A 288
SER A 284
VAL A 204
1.39A19.13
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.
4U0I_A_0LIA1001_2
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		Ponatinib5 / 12
ALA A 211
LEU A 253
GLY A   2
ASP A 295
PHE A 291
1.60A19.82
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.
2Z97_A_CAMA422_0
(CYTOCHROME P450-CAM)		Camphor4 / 6
LEU A  67
VAL A  20
VAL A  91
VAL A  36
1.36A21.50
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.
1MX1_D_THAD4_2
(LIVER
CARBOXYLESTERASE I)		Tacrine3 / 3
PHE A 103
LEU A  32
MET A  17
1.60A20.94
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.
1OPJ_A_STIA3_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Imatinib6 / 12
LEU A 253
VAL A 296
ALA A 210
GLU A 288
ILE A 286
ASP A 289
1.79A21.26
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.
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
1.57A21.52
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.
1KT4_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		Vitamin A5 / 12
LEU A 262
LEU A 250
ALA A 210
ALA A 206
VAL A 247
1.55A19.55
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.
1BDW_B_DVAB8_0
(GRAMICIDIN A)		L-Valine3 / 3
VAL A  36
VAL A  77
TRP A  31
1.60A4.57
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.
4EM2_A_SALA502_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SAR2349)		Salicylic acid4 / 8
LEU A  89
VAL A  20
VAL A  68
GLN A  74
1.37A20.00
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.
2KCE_A_D16A566_2
(THYMIDYLATE SYNTHASE)		Raltitrexed3 / 3
HIS A 134
ILE A 136
LEU A 167
1.21A20.25
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.
5Z84_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.15A21.54
10.81
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.
4FJP_A_NPSA711_1
(LACTOTRANSFERRIN)		Naproxen4 / 6
THR A 135
PRO A 132
ASN A 133
GLY A 109
1.39A22.31
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.
6HD6_B_STIB601_0
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib6 / 12
LEU A 253
VAL A 296
ALA A 210
GLU A 288
ILE A 286
ASP A 289
1.75A21.26
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.
6NJ9_K_SAMK500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		S-Adenosylmethionine3 / 3
THR A 135
GLU A 240
ASN A 133
1.44A19.69
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.
3BGD_B_PM6B302_1
(THIOPURINE
S-METHYLTRANSFERASE)		Mercaptopurine4 / 7
PHE A 230
LEU A 242
LEU A 250
LEU A 205
1.27A21.91
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.
1WMQ_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		L-Histidine4 / 6
ARG A 217
ILE A 259
GLY A 258
ALA A 255
1.30A19.74
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.
4E3H_A_HQEA303_1
(CARBONIC ANHYDRASE 2)		Hydroquinone5 / 10
VAL A  77
PHE A  66
LEU A  89
VAL A  91
VAL A  36
1.46A23.46
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.
4BKJ_B_STIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Imatinib5 / 12
ILE A 106
MET A 130
LEU A 167
ALA A 173
PHE A 185
1.41A23.14
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.
1ME7_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		Mycophenolic acid5 / 8
SER H   2
SER H   4
GLY A 143
CYH A 145
GLY A 174
1.54A5.95
None
ECC  H   5 ( 4.7A)
ECC  H   5 ( 3.3A)
ECC  H   5 ( 1.7A)
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.
2AVS_B_MK1B902_1
(POL POLYPROTEIN)		Indinavir5 / 12
ARG A 131
GLY A 174
ASP A 176
GLY A 149
VAL A 114
1.23A17.67
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.
5QH3_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.95A21.40
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.
1L5M_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
GLY A   2
PHE A   3
LEU A 282
ARG A   4
GLY A 283
1.69A21.99
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.
4A97_A_ZPCA1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Eszopiclone4 / 7
GLU A 288
GLU A 290
PHE A 291
VAL A 125
1.52A20.58
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.
1BZM_A_MZMA262_1
(CARBONIC ANHYDRASE I)		Methazolamide4 / 8
PHE A 181
HIS A 163
HIS A 172
LEU A 167
1.57A21.66
None
ECC  H   5 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1B_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 5
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.21A21.54
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.
3SM2_A_478A126_2
(GAG-PRO-POL
POLYPROTEIN)		Amprenavir5 / 11
ALA A 116
HIS A 163
VAL A 148
GLY A 120
LEU A 115
1.24A17.54
None
ECC  H   5 ( 4.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q7L_A_TESA155_1
(ANDROGEN RECEPTOR)		Testosterone5 / 12
ASN A 119
LEU A  27
GLY A 143
VAL A 148
MET A 162
1.62A21.14
None
ECC  H   5 ( 4.9A)
ECC  H   5 ( 3.3A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)		Norepinephrine5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.61A17.04
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.
4QVY_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib6 / 12
THR A 135
CYH A 128
ALA A 173
GLY A 174
THR A 175
CYH A 160
1.69A20.07
23.45
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.
1C6Z_B_ROCB505_2
(PROTEIN (PROTEASE))		Saquinavir5 / 12
ILE A 106
GLY A 109
ILE A 200
THR A 135
ILE A 136
1.25A17.06
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.
4PWD_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Nevirapine4 / 8
LEU A 268
VAL A 233
TYR A 239
LEU A 205
1.32A17.74
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.
3ASO_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid4 / 8
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.19A21.54
10.81
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.
5DXB_A_ESTA1000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU A 220
ALA A 267
GLU A 270
MET A 276
LEU A 208
1.76A19.74
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.
5DXE_B_ESTB1000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU A 220
ALA A 267
GLU A 270
MET A 276
LEU A 208
1.76A19.74
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.
3VHU_A_SNLA1001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU A 227
ASN A 231
ALA A 234
LEU A 205
THR A 243
1.43A22.33
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.
5OV9_B_CVIB602_0
(ACETYLCHOLINESTERASE)		Gentian Violet5 / 8
ASP A  33
THR A  35
LEU A  32
THR A  98
VAL A 157
1.73A19.96
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		Benzyl alcohol4 / 4
THR A  25
LEU A  27
HIS A  41
GLY A 143
0.49A43.38
None
ECC  H   5 ( 4.9A)
ECC  H   5 ( 4.3A)
ECC  H   5 ( 3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWQ_A_VIAA901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		Sildenafil5 / 9
LEU A 272
VAL A 204
LEU A 250
PHE A 230
VAL A 233
1.72A22.22
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.
4XI3_C_29SC601_2
(ESTROGEN RECEPTOR)		Bazedoxifene4 / 6
LEU A 167
ASP A 197
HIS A 163
PRO A 108
1.38A21.91
None
None
ECC  H   5 ( 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.
4C9L_A_CAMA1419_0
(CYTOCHROME P450)		Camphor5 / 12
ILE A 213
THR A 257
LEU A 250
GLY A 251
VAL A 297
1.22A21.40
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.
5UAN_B_REAB503_1
(RETINOIC ACID
RECEPTOR BETA)		Tretinoin5 / 12
PHE A 230
ALA A 234
LEU A 287
LEU A 272
LEU A 208
1.31A20.20
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.
3CE6_B_ADNB500_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.78A20.16
ECC  H   5 ( 4.3A)
ECC  H   5 ( 4.9A)
None
ECC  H   5 ( 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.
2WBE_B_TA1B1439_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 242
THR A 243
GLY A 109
1.26A20.34
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.
5QGU_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
1.00A21.40
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.
5WGD_B_ESTB601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU A 220
ALA A 267
GLU A 270
MET A 276
LEU A 208
1.75A19.74
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.
6FDY_U_DB8U301_1
(-)		Bosutinib5 / 11
LEU A 272
ALA A 234
CYH A 265
ASN A 203
LEU A 205
1.59A22.29
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.
2ZM8_A_ACAA512_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		Aminocaproic Acid5 / 10
ALA A 116
TYR A 118
SER A 144
HIS A 163
GLY A 124
1.47A22.30
None
None
ECC  H   5 ( 3.5A)
ECC  H   5 ( 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.
1C6Y_B_MK1B524_1
(PROTEIN (PROTEASE))		Indinavir5 / 11
ILE A 106
GLY A 109
ILE A 200
THR A 135
ILE A 136
1.24A17.06
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.
4IB4_A_ERMA2001_1
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		Ergotamine5 / 12
LEU A  27
SER H   4
MET A 162
ALA A 173
PHE A 181
1.46A20.79
ECC  H   5 ( 4.9A)
ECC  H   5 ( 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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		Triamterene4 / 8
SER H   2
ASP A 187
VAL A  42
LEU A  27
1.37A2.43
None
None
None
ECC  H   5 ( 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.
3A9E_B_REAB1_1
(RETINOIC ACID
RECEPTOR ALPHA)		Tretinoin5 / 11
LEU A 287
ILE A 281
ARG A 279
PHE A 219
LEU A 250
1.58A20.85
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.
3IZ0_B_TA1B820_1
(BETA TUBULIN, CHAIN
B FROM PDB 1JFF)		Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 242
THR A 243
GLY A 109
1.24A20.34
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.
6BP4_B_SAMB505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		S-Adenosylmethionine5 / 12
GLY A 146
TYR A 118
CYH A  16
LEU A 115
GLY A 124
1.71A22.78
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.
1IKW_A_EFZA2000_1
(POL POLYPROTEIN)		Efavirenz5 / 10
LEU A  86
VAL A  20
TYR A  37
GLY A  29
LEU A  87
1.70A18.32
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.
1JHY_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
GLY A   2
PHE A   3
LEU A 282
ARG A   4
GLY A 283
1.76A21.99
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.
5FXT_A_0LAA1376_1
(DNA POLYMERASE III
SUBUNIT BETA)		Carprofen4 / 7
LEU A  27
THR A  25
ILE A  43
MET A  49
1.35A20.66
ECC  H   5 ( 4.9A)
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.
3EM3_B_478B200_1
(PROTEASE)		Amprenavir6 / 10
LEU A 220
ALA A 260
GLY A 251
LEU A 250
VAL A 212
ILE A 259
1.64A18.02
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.
3EDL_B_TA1B601_1
(BETA TUBULIN)		Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 242
THR A 243
GLY A 109
1.26A20.34
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.
5QH7_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.95A21.40
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.
5MO4_A_NILA601_2
(TYROSINE-PROTEIN
KINASE ABL1)		Nilotinib6 / 12
VAL A 296
ILE A 213
VAL A 212
ILE A 259
PHE A   3
LEU A 220
1.79A20.41
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.
5M8R_C_MMSC516_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		Mimosine4 / 8
HIS A 163
HIS A 172
LEU A 167
GLY A 170
1.16A20.43
ECC  H   5 ( 4.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KPC_A_SAMA401_0
(PAVINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 149
LEU A  30
THR A 111
VAL A  13
ALA A   7
1.29A21.71
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		Cyproheptadine4 / 5
TYR A 182
GLY A 179
TYR A 161
GLY A 146
1.36A19.44
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		Clotrimazole4 / 6
GLN A 273
ALA A 267
ALA A 266
THR A 225
1.45A24.02
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.
1A27_A_ESTA350_1
(17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE)		Estradiol5 / 12
VAL A  13
GLY A  15
MET A  17
VAL A 125
PHE A 150
1.48A21.17
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.
2ZB8_A_IMNA800_1
(PROSTAGLANDIN
REDUCTASE 2)		Indomethacin5 / 9
THR A 225
PHE A 219
LEU A 205
VAL A 204
LEU A 208
1.75A23.99
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.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		Levomefolic acid5 / 12
GLY A 174
LEU A  89
VAL A  20
GLY A  29
SER A 147
1.44A21.99
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.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)		Methotrexate5 / 12
ASP A 176
LEU A 177
GLY A 179
ASN A  84
ASP A  34
1.59A20.67
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.
5UAL_C_RFPC3001_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Rifampicin5 / 11
GLN A 110
PHE A 112
ASP A 295
ILE A 249
GLN A 127
1.56A12.32
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.
5ND7_B_TA1B601_2
(TUBULIN BETA-2B
CHAIN)		Paclitaxel3 / 3
THR A  35
PRO A  39
ARG A  40
1.17A20.34
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.
3MNO_A_DEXA784_2
(GLUCOCORTICOID
RECEPTOR)		Betamethasone4 / 6
LEU A 272
TRP A 218
MET A 276
GLN A 273
1.71A20.69
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.
4M6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid6 / 12
LEU A  30
PHE A 159
PHE A 103
THR A  35
PRO A  99
THR A 175
1.64A18.88
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.
5Z84_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
ILE A 106
PHE A 112
ARG A 131
THR A 135
1.53A20.23
10.81
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.
6BXL_B_SAMB401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		S-Adenosylmethionine5 / 12
GLY A 138
HIS A 172
SER A  10
VAL A  13
VAL A 148
1.36A20.76
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.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		Vorinostat5 / 12
HIS A  41
GLY A 146
HIS A 163
GLY A 174
TYR A 161
1.63A21.82
ECC  H   5 ( 4.3A)
None
ECC  H   5 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J83_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		S-Adenosylmethionine5 / 11
ILE A  43
GLU A  55
GLY A 179
ASN A  84
HIS A  41
1.29A20.32
None
None
None
None
ECC  H   5 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JHR_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
GLY A   2
PHE A   3
LEU A 282
ARG A   4
GLY A 283
1.74A21.99
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.
5UUN_A_ACTA309_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid4 / 4
LEU A  27
GLY A 146
SER A 147
SER A 144
1.68A22.05
ECC  H   5 ( 4.9A)
None
None
ECC  H   5 ( 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.
4FR0_A_SAMA401_0
(ARSENIC
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A  29
GLY A 146
LEU A  27
VAL A  36
LEU A  89
1.37A21.65
None
None
ECC  H   5 ( 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.
4QW0_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 11
THR A 135
ALA A 173
GLY A 174
THR A 175
CYH A 160
1.46A20.07
23.45
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.
4I22_A_IREA9001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib6 / 12
LEU A 167
GLY A 170
VAL A 171
ALA A 173
LYS A 137
ASP A 197
1.68A22.28
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.
6BC9_A_ETSA302_1
(CARBONIC ANHYDRASE 2)		Dorzolamide5 / 12
ASN A 231
HIS A 246
VAL A 261
LEU A 205
THR A 201
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.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)		Bifonazole4 / 7
SER A 139
LEU A 141
PHE A 140
GLY A 143
1.26A22.88
None
None
None
ECC  H   5 ( 3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4W5O_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 7
ARG A  60
CYH A  44
ILE A  43
PRO A  52
1.54A15.48
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.
3KP6_B_SALB3008_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		Salicylic acid4 / 7
GLU A 288
VAL A 204
VAL A 296
ALA A 210
1.43A18.94
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.
2W3B_A_FOLA401_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid6 / 12
LEU A  30
PHE A 159
PHE A 103
THR A  35
PRO A  99
THR A 175
1.67A18.88
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.
4E47_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		S-Adenosylmethionine5 / 11
ILE A  43
GLU A  55
GLY A 179
ASN A  84
HIS A  41
1.27A19.00
None
None
None
None
ECC  H   5 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FBV_D_FI8D1904_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		Fidaxomicin4 / 8
ASP A 187
ARG A  40
VAL A 171
GLN A 110
1.43A13.19
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.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		Simeprevir5 / 12
GLY A 138
GLY A 170
ARG A 131
ALA A 194
ASP A 197
1.40A23.10
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.
5NFJ_A_SAMA501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)		S-Adenosylmethionine6 / 12
ALA A 206
ILE A 259
LEU A 205
LEU A 208
LEU A 220
MET A 264
1.61A21.86
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.
2HRE_D_CHDD702_0
(FERROCHELATASE)		Cholic Acid3 / 3
ARG A 105
GLY A 183
PRO A 184
1.01A19.84
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.
5QGM_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.98A21.40
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.
4OKW_A_198A1001_2
(ANDROGEN RECEPTOR)		Bicalutamide4 / 7
LEU A 220
MET A 276
LEU A 268
ILE A 259
1.24A20.25
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.
1QZR_B_CDXB901_1
(DNA TOPOISOMERASE II)		Dexrazoxane4 / 7
HIS A  41
THR A  25
ASN A 119
GLN A  19
1.39A21.03
ECC  H   5 ( 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.
1U1J_A_C2FA773_0
(5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE)		Levomefolic acid4 / 8
ARG A  60
ASN A  63
HIS A  64
SER A  62
1.41A17.65
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.
3IHZ_A_FK5A501_2
(70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE)		Tacrolimus5 / 8
ASP A 263
PHE A 223
GLY A 258
SER A 254
ILE A 259
1.51A17.89
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.
4Z4E_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 7
ARG A  60
CYH A  44
ILE A  43
PRO A  52
1.52A15.48
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.
3BGD_A_PM6A302_1
(THIOPURINE
S-METHYLTRANSFERASE)		Mercaptopurine4 / 6
HIS A 246
PHE A 230
LEU A 202
LEU A 205
1.43A21.91
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.
1IKV_A_EFZA2000_1
(POL POLYPROTEIN)		Efavirenz5 / 9
LEU A  86
VAL A  20
TYR A  37
GLY A  29
LEU A  87
1.73A18.32
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.
5QH5_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.92A21.40
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.
6GNF_A_QPSA602_1
(-)		Acarbose5 / 12
HIS A 163
ASN A 133
GLN A 192
PRO A 184
GLY A 195
1.69A20.80
ECC  H   5 ( 4.1A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PCG_A_ESTA1_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU A 220
ALA A 267
GLU A 270
MET A 276
LEU A 208
1.76A22.22
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.
3UWL_D_FOZD316_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 12
LEU A 272
LEU A 262
LEU A 208
ASN A 221
TYR A 209
1.46A22.69
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.
3JWQ_C_VIAC901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		Sildenafil4 / 7
HIS A 164
MET A  17
LEU A  32
VAL A 114
1.69A22.22
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.
4QVV_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2)		Bortezomib5 / 11
THR A 135
CYH A 128
ALA A 173
GLY A 174
THR A 175
1.41A20.07
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.
4JDS_D_SAMD401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		S-Adenosylmethionine5 / 11
ILE A  43
GLU A  55
GLY A 179
ASN A  84
HIS A  41
1.29A19.00
None
None
None
None
ECC  H   5 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ACJ_A_THAA999_1
(ACETYLCHOLINESTERASE)		Tacrine5 / 9
GLY A 146
PHE A 140
ILE A 136
HIS A 163
GLY A 174
1.75A19.78
None
None
None
ECC  H   5 ( 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.
2AVS_B_MK1B902_3
(POL POLYPROTEIN)		Indinavir5 / 12
ARG A 131
GLY A 174
ASP A 176
GLY A 149
VAL A 114
1.20A17.67
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.
5HM8_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
THR A 243
GLU A 240
THR A 199
LEU A 268
1.20A20.16
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.
1A4L_C_DCFC1353_2
(ADENOSINE DEAMINASE)		Pentostatin4 / 5
LEU A  32
LEU A  30
SER A  10
LEU A 115
1.21A20.87
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.
3ASN_P_CHDP1271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.15A21.54
10.81
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.
3G1U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.72A20.00
ECC  H   5 ( 4.3A)
ECC  H   5 ( 4.9A)
None
ECC  H   5 ( 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.
4NJV_D_RITD500_2
(PROTEASE)		Ritonavir5 / 12
ILE A 106
GLY A 109
ILE A 200
THR A 135
ILE A 136
1.30A15.36
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.
5L5F_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 12
THR A 135
CYH A 128
ALA A 173
GLY A 174
THR A 175
1.45A20.07
23.45
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.
3MG0_V_BO2V1401_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		Bortezomib5 / 11
THR A 135
ALA A 173
GLY A 174
THR A 175
CYH A 160
1.48A19.41
23.08
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.
5KKZ_E_ASCE1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		Vitamin C4 / 7
HIS A  80
ILE A  78
VAL A  77
ARG A  76
1.50A21.71
21.46
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		Ampicillin4 / 8
GLU A 166
HIS A 163
SER A 144
TYR A 118
1.52A17.37
ECC  H   5 ( 4.7A)
ECC  H   5 ( 4.1A)
ECC  H   5 ( 3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PNJ_B_CHDB502_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 7
ILE A 152
PRO A 122
GLY A  15
MET A  17
1.37A23.08
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.
3ADX_B_IMNB3_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin6 / 12
LEU A 242
GLY A 275
ALA A 266
LEU A 208
LEU A 205
VAL A 204
1.63A21.88
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.
1BZF_A_TMQA170_1
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate5 / 12
HIS A 246
LEU A 242
LEU A 268
ALA A 260
THR A 225
1.48A20.33
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.
1SDU_B_MK1B902_1
(PROTEASE RETROPEPSIN)		Indinavir6 / 11
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.76A14.44
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.
5HES_A_032A401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)		Vemurafenib4 / 6
PHE A 150
LYS A 102
SER A 113
ASP A 153
1.51A19.58
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.
2BXM_A_IMNA2001_1
(SERUM ALBUMIN)		Indomethacin4 / 8
SER H   2
ALA A 173
ARG A  40
LEU A  27
1.12A2.26
None
None
None
ECC  H   5 ( 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.
3LXK_A_MI1A1125_1
(TYROSINE-PROTEIN
KINASE JAK3)		Tofacitinib5 / 12
LEU A 167
VAL A 171
ALA A 173
LYS A 137
ASP A 197
1.44A20.82
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.
3ARR_A_PNXA607_1
(CHITINASE A)		Pentoxifylline4 / 7
SER H   4
HIS A  41
THR A  25
LEU A  27
1.67A2.28
ECC  H   5 ( 4.7A)
ECC  H   5 ( 4.3A)
None
ECC  H   5 ( 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.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		Erlotinib5 / 12
ILE A 152
SER A 158
PHE A   8
ASP A 153
ASP A 295
1.58A21.19
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.
3OXW_B_017B200_2
(HIV-1 PROTEASE)		Darunavir5 / 10
ASP A 176
VAL A 104
GLY A 149
VAL A 114
ILE A 106
1.48A17.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D0X_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2)		Bortezomib5 / 11
THR A 135
CYH A 128
ALA A 173
GLY A 174
THR A 175
1.41A20.07
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.
4MK4_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 8
SER A 301
VAL A 297
VAL A 212
GLY A 215
1.38A20.11
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.
3AG4_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.16A21.54
10.81
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.
4LU3_A_AZMA302_1
(CARBONIC ANHYDRASE
14)		Acetazolamide5 / 11
HIS A 246
VAL A 247
LEU A 262
LEU A 205
THR A 201
1.40A20.31
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.
4UBS_A_DIFA503_1
(PENTALENIC ACID
SYNTHASE)		Diclofenac5 / 7
LEU A 208
THR A 199
LEU A 250
LEU A 253
ILE A 200
1.71A21.59
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.
3OU7_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
TYR A 209
ALA A 210
GLY A 215
ASP A 216
LEU A 282
1.70A21.12
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.
5MM7_B_TA1B501_1
(-)		Paclitaxel5 / 11
VAL A 296
ASP A 295
ALA A 206
THR A 243
GLY A 109
1.08A20.79
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.
4BLV_A_SAMA1281_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		S-Adenosylmethionine5 / 12
LEU A  86
GLY A  29
GLY A 120
LEU A 177
GLY A 149
1.34A20.19
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.
5X19_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.18A21.54
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.
2ZB7_A_NCAA901_0
(PROSTAGLANDIN
REDUCTASE 2)		Nicotinamide4 / 5
ILE A 281
MET A 264
LEU A 287
LEU A 271
1.29A23.99
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.
2DG4_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		Sirolimus5 / 11
TYR A 161
GLU A 290
ILE A 106
PHE A 112
HIS A 134
1.73A16.61
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.
5QGY_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.96A21.40
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.
2B9E_A_SAMA1201_0
(NOL1/NOP2/SUN DOMAIN
FAMILY, MEMBER 5
ISOFORM 2)		S-Adenosylmethionine5 / 12
GLY A 179
ASN A  84
LYS A 180
LEU A  32
ARG A  88
1.40A22.29
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.
2G72_B_SAMB2002_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
THR A 175
VAL A  20
CYH A  38
VAL A  42
TYR A  54
1.51A21.11
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.
4QW1_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib6 / 12
THR A 135
CYH A 128
ALA A 173
GLY A 174
THR A 175
CYH A 160
1.77A20.07
23.45
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.
6F3M_D_ADND502_2
(-)		Adenosine4 / 5
ILE A 286
THR A 285
THR A 199
LEU A 272
1.31A22.43
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.
5B3S_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.18A21.54
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.
3MNP_A_DEXA784_2
(GLUCOCORTICOID
RECEPTOR)		Betamethasone4 / 6
LEU A 272
TRP A 218
MET A 276
GLN A 273
1.70A20.63
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.
1FDU_A_ESTA351_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		Estradiol5 / 12
VAL A 148
GLY A 149
GLY A 146
PHE A 140
SER A 123
1.22A20.73
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.
5O96_E_SAME501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 9
GLY A  79
VAL A  68
LEU A  75
ARG A  76
GLN A  74
1.75A21.29
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.
3P73_A_ACTA275_0
(MHC RFP-Y CLASS I
ALPHA CHAIN)		Acetic acid3 / 3
ILE A 259
VAL A 212
ARG A 217
1.05A20.78
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.
1LWF_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		Nevirapine5 / 9
LEU A 177
VAL A 157
VAL A 104
TYR A 101
LEU A  30
1.72A18.50
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.
4FP9_D_SAMD401_1
(METHYLTRANSFERASE
NSUN4)		S-Adenosylmethionine3 / 3
ASP A  56
ARG A  60
ASP A  48
1.73A19.95
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.
4DO3_B_0LAB602_1
(FATTY-ACID AMIDE
HYDROLASE 1)		Carprofen4 / 6
LEU A 268
LEU A 287
ILE A 286
THR A 199
0.99A19.08
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		Foscarnet4 / 8
HIS A 172
HIS A 163
ALA A 116
LEU A 141
1.06A20.94
None
ECC  H   5 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_P_CHDP304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.14A21.54
10.81
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.
3ADX_A_IMNA2_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin5 / 12
CYH A  22
HIS A  41
TYR A  54
LEU A  57
LEU A  27
1.73A21.88
None
ECC  H   5 ( 4.3A)
None
None
ECC  H   5 ( 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.
4EMA_A_BRLA601_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone5 / 12
GLY A 179
CYH A  85
HIS A  41
LEU A  27
LEU A  87
1.39A21.97
None
None
ECC  H   5 ( 4.3A)
ECC  H   5 ( 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.
1UTD_L_TRPL81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		L-Tryptophan5 / 12
GLY A 283
ALA A 211
ILE A 281
GLY A   2
ALA A 210
1.40A13.89
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.
6AF6_A_GLYA507_0
(L-PROLYL-[PEPTIDYL-C
ARRIER PROTEIN]
DEHYDROGENASE)		Glycine3 / 3
TYR A  54
HIS A  41
MET A 165
1.20A23.43
None
ECC  H   5 ( 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.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		Penicillamine4 / 5
LEU A 271
GLN A 273
LEU A 268
GLU A 270
1.66A6.88
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.
3ID6_C_SAMC301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		S-Adenosylmethionine5 / 12
ALA A 173
THR A 175
PHE H   3
ASP A 187
GLN A 189
1.51A23.53
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.
5AYF_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		S-Adenosylmethionine5 / 11
ILE A  43
GLU A  55
GLY A 179
ASN A  84
HIS A  41
1.30A19.44
None
None
None
None
ECC  H   5 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1U70_A_MTXA187_2
(DIHYDROFOLATE
REDUCTASE)		Methotrexate4 / 4
SER A 284
ILE A 286
VAL A 204
THR A 111
1.45A18.87
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.
6GNG_B_QPSB601_1
(-)		Acarbose5 / 12
VAL A 157
TYR A 182
TYR A 161
VAL A  13
CYH A  16
1.76A18.41
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.
2EIM_W_CHDW1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.15A21.54
10.81
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.
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
1.43A20.93
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.
1XDK_B_9CRB600_1
(RETINOIC ACID
RECEPTOR, BETA)		Alitretinoin5 / 12
PHE A 230
ALA A 234
LEU A 287
LEU A 272
LEU A 208
1.13A19.39
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.
5C0O_H_SAMH301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		S-Adenosylmethionine5 / 12
ALA A 116
GLY A 149
SER A 147
GLY A 146
LEU A  30
1.29A20.52
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.
3O9M_A_BEZA999_0
(CHOLINESTERASE)		Benzoic Acid4 / 7
GLY A 146
GLY A  29
LEU A  87
HIS A 164
1.43A20.07
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.
4F92_B_SANB2201_1
(U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE)		Sulfanilamide5 / 9
HIS A 246
GLU A 240
TYR A 239
ASN A 203
GLY A 109
1.56A11.64
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.
3MG0_N_BO2N1404_1
(PROTEASOME COMPONENT
PRE3)		Bortezomib5 / 11
THR A  26
THR A  25
THR A  24
SER A 144
GLY A 143
1.33A22.15
None
None
None
ECC  H   5 ( 3.5A)
ECC  H   5 ( 3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B0L_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL A 212
ASP A 216
LEU A 202
LEU A 250
THR A 201
1.41A20.77
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.
3S8P_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		S-Adenosylmethionine3 / 3
HIS A 172
SER H   2
ASN A 142
1.38A19.87
None
None
ECC  H   5 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HGG_A_CHDA211_0
(CMER)		Cholic Acid4 / 7
CYH A 128
PHE A 140
PHE A 112
TYR A 182
1.67A21.09
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.
6BEH_A_RPTA601_1
(SCAFFOLD PROTEIN D13)		Rifapentine5 / 10
GLU A 290
VAL A 157
PHE A 140
PHE A   8
PHE A 150
1.80A20.93
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.
3U9F_E_CLME221_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol3 / 3
PHE A 181
CYH A  85
HIS A 164
1.61A24.06
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.
4J7X_A_SASA806_1
(SEPIAPTERIN
REDUCTASE)		Sulfasalazine5 / 12
CYH A 128
PHE A 112
TYR A 126
ASP A 176
GLY A 174
1.52A23.46
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.
4C9O_A_CAMA423_0
(CYTOCHROME P450)		Camphor5 / 12
ILE A 213
THR A 257
LEU A 250
GLY A 251
VAL A 297
1.25A21.05
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.
4J5J_B_478B401_2
(PROTEASE)		Amprenavir5 / 10
ASP A  92
ASN A  95
VAL A  18
VAL A  77
VAL A  91
1.50A17.75
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.
4FEW_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 7
ASP A 197
ASN A 203
GLU A 290
GLU A 240
1.56A22.96
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.
3H52_C_486C4_1
(GLUCOCORTICOID
RECEPTOR)		Mifepristone5 / 12
LEU A 282
GLY A 215
LEU A 220
PHE A 219
MET A 264
1.70A22.22
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.
1Y4L_B_SVRB301_1
(PHOSPHOLIPASE A2
HOMOLOG 2)		Suramin5 / 12
GLY A  29
LEU A 115
GLY A 149
TYR A 101
PRO A  99
1.70A19.34
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.
1MAA_D_DMED999_1
(ACETYLCHOLINESTERASE)		Decamethonium4 / 8
GLY A 138
TYR A 126
GLU A 166
TYR A 118
1.62A20.04
None
None
ECC  H   5 ( 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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		Decamethonium4 / 6
TYR A 118
GLU A 166
TYR A 126
GLY A 124
1.28A20.04
None
ECC  H   5 ( 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.
2F16_2_BO221405_1
(PROTEASOME COMPONENT
PRE3)		Bortezomib5 / 11
THR A  26
THR A  25
THR A  24
SER A 144
GLY A 143
1.30A22.15
None
None
None
ECC  H   5 ( 3.5A)
ECC  H   5 ( 3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H5F_A_SAMA301_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
SFM1)		S-Adenosylmethionine5 / 12
ILE A  43
ASP A  56
ARG A  60
ARG A  88
LEU A  86
1.30A20.07
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.
5QGV_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.95A21.40
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.
2QAK_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP A 153
THR A 292
PRO A 293
1.18A17.31
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.
3J6G_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 10
VAL A 212
ASP A 216
LEU A 250
THR A 201
LEU A 268
1.67A20.79
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.
4PCU_A_SAMA603_0
(CYSTATHIONINE
BETA-SYNTHASE)		S-Adenosylmethionine4 / 7
PHE A   8
GLN A 127
THR A 111
ILE A 106
1.32A19.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		Methysergide6 / 12
VAL A  42
THR A  25
LEU A  89
PHE A  66
GLY A  23
VAL A  18
1.64A21.19
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.
3U9F_B_CLMB221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 12
THR A 199
LEU A 205
VAL A 261
PHE A 230
CYH A 265
1.42A24.06
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.
4CSV_A_STIA1265_1
(SRC-ABL TYROSINE
KINASE ANCESTOR)		Imatinib5 / 12
ILE A 106
MET A 130
LEU A 167
ALA A 173
PHE A 185
1.43A19.06
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.
6D8F_A_ACTA803_0
(UNCHARACTERIZED
PROTEIN)		Acetic acid3 / 3
GLU A  55
LEU A  58
ARG A  40
1.63A17.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		Pemetrexed5 / 12
HIS A 246
ILE A 249
LEU A 253
GLY A 251
VAL A 297
1.63A21.67
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.
5B3S_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.16A21.54
10.81
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.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		Vorinostat5 / 12
ASP A 176
HIS A  41
HIS A 164
PHE A 181
GLY A 146
1.80A20.54
None
ECC  H   5 ( 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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		Bedaquiline3 / 3
GLU A 270
ALA A 266
PHE A 223
0.92A15.67
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.
2Q64_B_1UNB1001_4
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP A 153
THR A 292
PRO A 293
1.19A16.96
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.
4MWV_A_BCZA513_1
(NEURAMINIDASE)		Peramivir3 / 3
ARG A  40
GLU A  55
ARG A 188
1.64A21.84
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.
2ZM8_A_ACAA511_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		Aminocaproic Acid4 / 8
ALA A 129
ILE A 136
TYR A 161
HIS A 163
1.37A22.30
None
None
None
ECC  H   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BSJ_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT)		Efavirenz5 / 10
LEU A  86
VAL A 148
GLY A 146
LEU A 177
TYR A  37
1.72A18.36
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.
6HWD_V_BO2V301_0
(PROTEASOME SUBUNIT
BETA TYPE-2)		Bortezomib5 / 11
THR A 135
CYH A 128
ALA A 173
GLY A 174
THR A 175
1.49A20.07
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.
5NFJ_B_SAMB501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)		S-Adenosylmethionine6 / 12
LEU A 250
ILE A 249
GLY A 251
SER A 254
LEU A 242
LEU A 227
1.72A21.86
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.
1Q0Y_H_MOIH401_1
(FAB 9B1, HEAVY CHAIN
FAB 9B1, LIGHT CHAIN)		Morphine4 / 7
GLU A 288
ILE A 286
TRP A 207
LEU A 208
1.72A21.52
19.93
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.
3ADS_A_IMNA2_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin5 / 12
CYH A  22
SER A  65
LEU A  89
LEU A  27
LEU A  57
1.59A21.88
None
None
None
ECC  H   5 ( 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.
6MXT_A_K5YA1401_0
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)		Salmeterol5 / 12
VAL A  13
ASP A 176
PHE A 159
ILE A 106
ASN A 151
1.58A19.14
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.
4Y4D_A_CFFA411_1
(ENDOTHIAPEPSIN)		Caffeine4 / 6
ASP A 216
LEU A 208
PHE A 219
ILE A 286
1.52A22.47
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.
3UQ6_B_ADNB401_2
(ADENOSINE KINASE,
PUTATIVE)		Adenosine4 / 5
LEU A 141
GLY A 143
PHE A 140
ASN A  28
1.47A20.57
None
ECC  H   5 ( 3.3A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_P_CHDP1271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.16A21.54
10.81
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.
4BUP_B_SAMB500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		S-Adenosylmethionine5 / 12
SER A 123
SER A 113
HIS A 163
PHE A 140
CYH A 145
1.35A20.00
None
None
ECC  H   5 ( 4.1A)
None
ECC  H   5 ( 1.7A)
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.
2HRC_B_CHDB1605_0
(FERROCHELATASE)		Cholic Acid5 / 12
LEU A 208
PHE A 219
LEU A 268
ILE A 213
LEU A 262
1.52A20.37
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Meclofenamic acid3 / 3
VAL A 157
SER A 113
MET A 130
1.44A19.54
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.
3CYX_A_ROCA201_3
(HIV-1 PROTEASE)		Saquinavir5 / 12
ARG A 131
GLY A 174
ASP A 176
GLY A 149
VAL A 114
1.15A17.67
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.
2VMY_B_GLYB502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		Glycine4 / 8
TYR A 126
SER A 139
HIS A 163
SER A 144
1.55A20.73
None
None
ECC  H   5 ( 4.1A)
ECC  H   5 ( 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.
3FUP_B_MI1B1_1
(TYROSINE-PROTEIN
KINASE JAK2)		Tofacitinib5 / 12
LEU A 167
VAL A 171
ALA A 173
LYS A 137
ASP A 197
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.
3OLL_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 10
MET A  82
LEU A  87
LEU A  89
MET A 162
LEU A  27
1.70A20.25
None
None
None
None
ECC  H   5 ( 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.
4QMS_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		Dasatinib5 / 11
ALA A 206
GLU A 290
TYR A 209
LEU A 208
ASP A 289
1.59A20.12
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.
3WZE_A_BAXA1201_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Sorafenib5 / 8
VAL A 247
CYH A 265
LEU A 242
ILE A 249
ASP A 245
1.62A22.48
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.
2W3B_B_FOLB401_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
GLU A 288
GLN A 299
ARG A 298
1.53A18.88
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.
4AC9_B_DXCB1473_0
(MJ0495-LIKE PROTEIN)		Deoxycholic Acid5 / 11
ILE A 136
PHE A 112
PHE A 140
SER A  10
GLY A 149
1.31A20.00
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.
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
1.51A21.97
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.
2XZ5_C_ACHC1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Acetylcholine4 / 8
ILE A 286
VAL A 204
TYR A 237
TYR A 239
1.79A22.04
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.
1MX1_B_THAB2_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 11
LEU A 177
PHE A 159
VAL A  20
LEU A  86
LEU A  32
1.26A20.94
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.
3CS9_C_NILC600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Nilotinib5 / 12
ALA A 129
VAL A 157
ILE A 152
THR A 111
ALA A   7
1.30A20.72
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.
1TYR_A_9CRA131_1
(TRANSTHYRETIN)		Alitretinoin4 / 6
ALA A 191
LEU A 167
SER H   2
THR A 190
1.34A19.12
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.
5G48_B_1FLB1375_1
(DNA POLYMERASE III
SUBUNIT BETA)		Diflunisal5 / 9
LEU A  27
THR A  25
ILE A  43
PRO A  52
MET A  49
1.79A20.66
ECC  H   5 ( 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.
3Q70_A_RITA2001_2
(CANDIDAPEPSIN-2)		Ritonavir4 / 6
ILE A 259
TYR A 209
ASP A 248
THR A 292
1.51A23.45
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.
5XDH_B_DAHB60_1
(PUTATIVE CYTOCHROME
C)		Levodopa4 / 5
HIS A 164
ASN A  28
VAL A 148
LEU A 177
1.62A14.39
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.
5CZ7_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib6 / 12
THR A 135
CYH A 128
ALA A 173
GLY A 174
THR A 175
CYH A 160
1.76A20.07
23.45
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.
4N09_A_ADNA401_1
(ADENOSINE KINASE)		Adenosine5 / 12
ASP A 263
LEU A 271
ALA A 267
PHE A 219
GLY A 258
1.53A22.37
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.
5TUD_D_ERMD1201_2
(5-HYDROXYTRYPTAMINE
RECEPTOR 2B,SOLUBLE
CYTOCHROME B562
CHIMERA)		Ergotamine5 / 6
LEU A  87
VAL A  42
THR A  25
LEU A  89
LEU A  75
1.77A21.06
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.
5HNY_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL A 296
ASP A 295
LEU A 268
LEU A 208
LEU A 287
1.36A20.93
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.
6BSG_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT)		Efavirenz5 / 10
LEU A  86
VAL A 148
GLY A 146
LEU A 177
TYR A  37
1.72A18.36
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.
2QWX_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Melatonin4 / 8
ILE A 136
PHE A 140
GLY A 149
ILE A 106
1.04A21.97
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.
1XOS_A_VIAA1_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		Sildenafil5 / 12
TYR A 101
ASP A  33
PHE A 159
SER A 147
MET A 162
1.76A21.23
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.
3FZG_A_SAMA300_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
HIS A  41
GLY A 146
LEU A  86
VAL A  20
GLN A  19
1.49A20.88
ECC  H   5 ( 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.
5QGN_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.94A21.40
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.
1VQ1_A_SAMA301_0
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		S-Adenosylmethionine5 / 12
THR A 257
GLY A 251
ALA A 255
PHE A 230
ALA A 206
1.37A20.34
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.
5UTU_H_ADNH503_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
THR A 243
GLU A 240
THR A 199
LEU A 268
1.15A20.16
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.
2RLF_D_RIMD499_1
(MATRIX PROTEIN 2)		Rimantadine4 / 6
ILE A  43
ARG A  40
LEU A  87
LEU A  57
1.43A9.40
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.
1AGM_A_ACRA495_1
(GLUCOAMYLASE-471)		Acarbose5 / 12
ALA A 211
ARG A 279
ASP A 216
GLY A 275
GLU A 270
1.64A21.54
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.
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
1.45A21.07
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.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		Dihomo-gamma-linolenic acid5 / 10
VAL A 233
TYR A 237
ASN A 221
ILE A 286
LEU A 268
1.40A18.28
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		Clotrimazole5 / 9
LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
0.99A21.35
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.
5ZCQ_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.15A21.54
10.81
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.
2BR4_A_SAMA301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine5 / 12
LEU A 177
LEU A  86
GLY A  29
TYR A  37
CYH A 117
1.37A23.10
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.
4ACA_C_DXCC1479_0
(TRANSLATION
ELONGATION FACTOR
SELB)		Deoxycholic Acid4 / 5
THR A 135
ILE A 136
GLU A 290
PHE A 140
1.65A20.00
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.
3HS6_B_EPAB1_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Icosapent5 / 12
GLY A  15
PHE A 150
ALA A   7
SER A  10
GLY A  11
1.41A19.66
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.
3HVT_A_NVPA557_1
(HIV-1 REVERSE
TRANSCRIPTASE
(SUBUNIT P66))		Nevirapine5 / 9
LEU A  86
VAL A 148
GLY A 146
LEU A 177
TYR A  37
1.80A18.56
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.
2QM9_A_TDZA201_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		Troglitazone5 / 12
PHE A 181
ALA A 173
SER H   4
SER H   2
CYH A  85
1.76A17.33
None
None
ECC  H   5 ( 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.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		Vorinostat5 / 12
HIS A  41
GLY A 146
HIS A 163
GLY A 174
TYR A 161
1.60A22.30
ECC  H   5 ( 4.3A)
None
ECC  H   5 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OR0_A_NPSA602_1
(SERUM ALBUMIN)		Naproxen5 / 9
PHE A 219
ALA A 267
ALA A 266
LEU A 242
LEU A 220
1.60A19.45
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.
2CML_C_ZMRC3478_1
(NEURAMINIDASE)		Zanamivir4 / 8
SER A 147
SER A 144
ASN A  28
GLN A  19
1.48A21.43
None
ECC  H   5 ( 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.
5QGJ_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.97A21.40
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.
5P9I_A_1E8A701_2
(TYROSINE-PROTEIN
KINASE BTK)		Ibrutinib4 / 5
LEU A 272
TYR A 239
MET A 235
ASP A 229
1.58A22.32
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.
1EJ0_A_SAMA301_0
(FTSJ)		S-Adenosylmethionine5 / 12
ALA A  70
GLY A  29
LEU A  87
LEU A  89
LEU A  27
1.28A18.12
None
None
None
None
ECC  H   5 ( 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.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)		Clopidogrel5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.44A22.88
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.
2JN3_A_JN3A130_1
(FATTY ACID-BINDING
PROTEIN, LIVER)		Ursodeoxycholic acid5 / 12
LEU A 282
ALA A 210
THR A 257
ASP A 216
LEU A 268
1.51A16.61
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.
4WRY_A_URFA302_1
(URACIL-DNA
GLYCOSYLASE)		Fluorouracil4 / 8
GLY A 146
TYR A 118
ASN A  28
HIS A 163
1.32A22.44
None
None
None
ECC  H   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CPR_B_SAMB402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		S-Adenosylmethionine3 / 3
HIS A 172
SER H   2
ASN A 142
1.46A20.33
None
None
ECC  H   5 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V8B_C_ADNC2502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
GLU A 240
THR A 199
LEU A 268
0.87A19.43
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.
1UPF_A_URFA999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)		Fluorouracil4 / 5
MET A 130
ALA A 129
ILE A 136
ASP A 197
1.60A20.43
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.
3ELZ_A_CHDA150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid5 / 12
GLN A 127
ASN A 151
PHE A 150
VAL A 148
LEU A 115
1.60A19.13
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.
5EQB_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole5 / 12
GLY A 109
PHE A 140
GLY A 143
GLY A 146
THR A 111
1.34A18.15
None
None
ECC  H   5 ( 3.3A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FHW_A_ACRA801_1
(GLUCOAMYLASE P)		Acarbose5 / 12
ALA A 211
ARG A 279
ASP A 216
GLY A 275
GLU A 270
1.59A19.25
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.
6MHT_D_SAMD328_0
(CYTOSINE-SPECIFIC
METHYLTRANSFERASE
HHAI)		S-Adenosylmethionine6 / 12
LEU A  30
GLY A  29
ASP A  33
ILE A  78
ASN A  95
VAL A  18
1.51A19.72
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.
1L5L_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
GLY A   2
PHE A   3
LEU A 282
ARG A   4
GLY A 283
1.70A21.99
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.
5UBB_A_SAMA301_1
(ALPHA N-TERMINAL
PROTEIN
METHYLTRANSFERASE 1B)		S-Adenosylmethionine4 / 5
GLY A 179
ARG A  40
ASP A 176
GLN A 107
1.25A23.13
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.
1ONI_D_BEZD507_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		Benzoic Acid4 / 7
PHE A 219
ALA A 211
ILE A 259
TYR A 209
1.17A20.06
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.
5QH9_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.95A21.40
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.
6F3M_A_ADNA502_1
(-)		Adenosine5 / 12
HIS A  41
LEU A  27
GLY A 146
HIS A 163
PHE A 181
1.77A21.26
ECC  H   5 ( 4.3A)
ECC  H   5 ( 4.9A)
None
ECC  H   5 ( 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.
5FUK_A_SNPA1236_1
(MROUPO)		Propranolol4 / 7
ILE A  43
ILE A  59
SER A  65
PHE A  66
1.03A21.54
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.
3WG7_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.15A21.54
10.81
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.
1ZUC_B_T98B202_1
(PROGESTERONE
RECEPTOR)		Tanaproget5 / 12
LEU A 202
LEU A 205
LEU A 268
LEU A 253
THR A 292
1.56A18.69
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.
3OGQ_A_AB1A200_2
(FIV PROTEASE)		Lopinavir5 / 12
GLY A 195
ALA A 194
ASP A 197
GLY A 183
LEU A 167
1.38A18.94
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.
4ACB_C_DXCC1479_0
(TRANSLATION
ELONGATION FACTOR
SELB)		Deoxycholic Acid4 / 5
THR A 135
ILE A 136
GLU A 290
PHE A 140
1.76A20.00
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.
3OLS_B_ESTB600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
LEU A 205
ALA A 206
LEU A 253
HIS A 246
LEU A 202
1.65A20.25
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.
2EIL_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.20A21.54
10.81
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.
1KNY_B_KANB559_1
(KANAMYCIN
NUCLEOTIDYLTRANSFERA
SE)		Kanamycin4 / 8
LYS A   5
ASP A 197
GLU A 290
GLU A 288
1.70A22.33
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.
4TWP_A_AXIA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		Axitinib5 / 12
LEU A 167
VAL A 171
ALA A 173
LYS A 137
ASP A 197
1.43A20.68
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.
5HYR_A_ESTA601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU A 220
ALA A 267
GLU A 270
MET A 276
LEU A 208
1.76A21.10
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.
5QGX_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.95A21.40
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		L-Threonine4 / 8
ASP A 295
GLY A 109
ALA A 129
GLN A 127
1.15A21.20
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.
6BQ4_B_ADNB401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		Adenosine5 / 12
ILE A 249
ASP A 248
ALA A 206
LEU A 253
ALA A 255
1.45A21.35
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.
1LHV_A_NOGA301_1
(SEX HORMONE-BINDING
GLOBULIN)		Levonorgestrel4 / 8
THR A 175
ASP A 176
PHE A 159
MET A 162
1.40A21.40
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.
4E47_D_SAMD800_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		S-Adenosylmethionine5 / 10
ILE A  43
GLU A  55
GLY A 179
ASN A  84
HIS A  41
1.33A19.00
None
None
None
None
ECC  H   5 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L49_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 5
PHE A 103
LEU A  30
VAL A 148
VAL A 157
1.64A21.75
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.
5M0I_B_ACTB303_0
(SWI5-DEPENDENT HO
EXPRESSION PROTEIN 2)		Acetic acid4 / 5
VAL A 171
THR A 135
ASN A 133
ASP A 197
1.45A22.40
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		Glucosamine3 / 3
GLY A 109
ASN A 203
ARG A 131
1.18A19.68
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.
1I2W_A_CFXA1300_1
(BETA-LACTAMASE)		Cefoxitin5 / 12
SER A 123
ASN A 119
ASN A  28
GLY A 124
ALA A 116
1.75A22.29
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.
3NU5_B_478B401_2
(PROTEASE)		Amprenavir5 / 12
GLY A 174
ILE A 106
GLY A 149
VAL A 148
ILE A 136
1.40A17.67
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.
4K50_A_ACTA506_0
(RNA POLYMERASE
3D-POL)		Acetic acid3 / 3
VAL A  77
GLY A  79
LYS A  90
1.68A20.59
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.
5IY5_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.13A21.18
10.85
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.
5GTR_A_ESTA601_1
(ESTROGEN RECEPTOR)		Estradiol6 / 12
LEU A 282
ALA A 210
MET A 264
ILE A 259
GLY A 258
LEU A 253
1.62A21.67
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.
3TKG_C_ROCC901_3
(PROTEASE)		Saquinavir3 / 3
ASP A 153
THR A 292
PRO A 293
1.13A18.56
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.
3V81_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		Nevirapine4 / 8
LEU A 268
VAL A 233
TYR A 239
LEU A 205
1.36A17.74
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.
4RVJ_B_478B101_1
(HIV-1 PROTEASE)		Amprenavir5 / 11
ILE A 106
GLY A 109
ILE A 200
THR A 135
ILE A 136
1.32A15.36
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.
2EIK_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.20A21.54
10.81
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.
5FA8_A_SAMA301_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine3 / 3
THR A 111
ASP A 289
GLU A 240
1.14A17.93
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.
3NVK_I_SAMI228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		S-Adenosylmethionine5 / 12
GLY A 195
ALA A 194
THR A 135
ASP A 197
GLU A 290
1.52A23.35
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.
3E23_A_SAMA221_0
(UNCHARACTERIZED
PROTEIN RPA2492)		S-Adenosylmethionine6 / 12
PHE A 230
LEU A 205
TYR A 209
GLY A 251
LEU A 253
LEU A 242
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.
1I2W_B_CFXB2300_2
(BETA-LACTAMASE)		Cefoxitin3 / 3
PRO A  52
LEU A  57
THR A  24
0.96A22.29
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.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		Dronabinol5 / 10
LEU A  86
TYR A 101
GLY A  29
VAL A 148
GLY A 146
1.57A23.90
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.
1STF_E_CCSE25_0
(PAPAIN
STEFIN B (CYSTATIN
B))		Carbocisteine5 / 10
GLY A  29
SER A 123
ALA A 116
SER A 147
GLY A 146
1.68A20.50
17.23
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		Sitagliptin5 / 12
GLY A 170
SER A 147
VAL A 148
TYR A 161
VAL A 114
1.73A16.99
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.
6ECX_A_SAMA1301_0
(STIE PROTEIN)		S-Adenosylmethionine6 / 12
LEU A 268
LEU A 205
ILE A 281
SER A 284
LEU A 287
ILE A 286
1.77A20.77
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.
3SM2_A_478A126_1
(GAG-PRO-POL
POLYPROTEIN)		Amprenavir5 / 8
GLY A 124
ALA A 116
VAL A 148
GLY A 120
LEU A 115
1.51A17.54
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.
2BR4_D_SAMD301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine5 / 12
LEU A 177
LEU A  86
GLY A  29
TYR A  37
CYH A 117
1.46A23.10
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.
3X2Q_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.17A21.54
10.81
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.
2BM9_D_SAMD301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine6 / 12
LEU A 177
LEU A  86
GLY A  29
TYR A  37
CYH A 117
ALA A 116
1.51A23.10
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.
4QZT_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 2)		Vitamin A5 / 12
MET A 264
ILE A 259
VAL A 297
LEU A 202
LEU A 250
1.57A19.79
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.
3EM0_B_CHDB152_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid4 / 8
ILE A 136
TYR A 126
VAL A 114
GLY A 149
1.19A19.13
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.
2ZZM_A_SAMA401_1
(UNCHARACTERIZED
PROTEIN MJ0883)		S-Adenosylmethionine3 / 3
ARG A  88
ASP A 176
ASN A  84
1.17A19.17
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.
2H9T_H_SVRH301_1
(THROMBIN)		Suramin5 / 11
HIS A 164
PRO A  39
ARG A  40
VAL A 148
GLY A  11
1.68A20.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUG_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir5 / 12
HIS A 164
GLY A 174
VAL A 186
ASP A 187
GLY A 146
1.41A22.01
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.
4WS1_A_URFA301_1
(URACIL-DNA
GLYCOSYLASE)		Fluorouracil4 / 8
GLY A 146
TYR A 118
ASN A  28
HIS A 163
1.37A22.44
None
None
None
ECC  H   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2LBD_A_REAA500_1
(RETINOIC ACID
RECEPTOR GAMMA)		Tretinoin5 / 12
LEU A 287
ILE A 281
ARG A 279
PHE A 219
LEU A 250
1.63A20.90
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.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		Citalopram6 / 12
ALA A 173
TYR A 182
PHE A 140
LEU A 167
GLY A 149
VAL A 114
1.80A20.36
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.
3ABK_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.15A21.54
10.81
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.
4AC9_C_DXCC1479_0
(MJ0495-LIKE PROTEIN)		Deoxycholic Acid4 / 5
THR A 135
ILE A 136
GLU A 290
PHE A 140
1.66A20.00
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.
4V20_A_ACTA1444_0
(CELLOBIOHYDROLASE)		Acetic acid4 / 5
GLY A 170
HIS A 172
GLY A 138
GLU A 166
1.08A22.55
None
None
None
ECC  H   5 ( 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.
2VQ5_B_LDPB1197_1
(S-NORCOCLAURINE
SYNTHASE)		Dopamine4 / 7
LEU A 268
LEU A 272
PHE A 230
LEU A 205
1.33A20.13
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.
3AG4_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.20A21.54
10.81
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.
2BYT_A_LEUA1301_0
(LEUCYL-TRNA
SYNTHETASE)		L-Leucine4 / 7
TYR A 126
TYR A 161
HIS A 172
HIS A 163
1.80A15.03
None
None
None
ECC  H   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWU_A_SREA801_1
(TRANSPORTER)		Sertraline5 / 12
LEU A 205
LEU A 242
PHE A 230
LEU A 272
THR A 198
1.55A21.34
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.
3N2O_C_AG2C1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)		Agmatine4 / 8
SER A 284
LEU A 271
TRP A 218
ASP A 216
1.33A18.45
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.
5QGL_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
1.03A21.40
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.
5QHF_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.93A21.40
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.
1JHO_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
GLY A   2
PHE A   3
LEU A 282
ARG A   4
GLY A 283
1.70A21.99
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.
5JMN_C_FUAC1101_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		Fusidic Acid3 / 3
VAL A  20
HIS A  80
VAL A  77
1.18A14.90
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.
5HWA_A_GCSA303_1
(CHITOSANASE)		Glucosamine4 / 5
HIS A 134
VAL A 171
GLY A 195
ALA A 194
1.41A21.96
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.
4ODO_A_FK5A205_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		Tacrolimus5 / 10
TYR A 209
LEU A 208
LEU A 250
LEU A 202
LEU A 271
1.39A18.92
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.
4COX_C_IMNC701_1
(CYCLOOXYGENASE-2)		Indomethacin5 / 12
VAL A  68
LEU A  67
VAL A  73
GLY A  71
ALA A  70
1.50A19.42
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.
5QHA_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.98A21.40
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.
5M66_D_ADND502_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
THR A 111
GLN A 127
ASP A 289
GLU A 288
PHE A 291
1.64A19.84
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.
2G72_A_SAMA2001_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
THR A 224
LEU A 271
ASP A 216
VAL A 212
ALA A 260
1.53A21.11
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.
1WRQ_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		L-Histidine4 / 6
ARG A 217
ILE A 259
GLY A 258
ALA A 255
1.26A19.74
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.
1FM6_U_9CRU502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ALA A 210
ALA A 211
TRP A 218
ILE A 286
LEU A 271
1.35A21.90
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.
4JDS_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		S-Adenosylmethionine5 / 11
ILE A  43
GLU A  55
GLY A 179
ASN A  84
HIS A  41
1.22A19.00
None
None
None
None
ECC  H   5 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W67_A_VIVA301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E5 / 11
SER A  65
ILE A  59
VAL A  77
LEU A  89
VAL A  20
1.50A22.98
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.
3AG2_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.18A21.54
10.81
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.
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
1.79A22.29
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.
2PO7_A_CHDA501_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 12
LEU A 177
LEU A  86
LEU A  27
VAL A  42
VAL A  18
1.54A20.37
None
None
ECC  H   5 ( 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.
5QHG_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.97A21.40
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.
5BTG_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		Levofloxacin4 / 6
ALA A   7
ARG A 131
GLY A 109
THR A 199
1.45A21.12
21.36
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.
2PRG_B_BRLB2_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone5 / 12
CYH A  22
HIS A  41
TYR A  54
LEU A  57
LEU A  27
1.75A22.58
None
ECC  H   5 ( 4.3A)
None
None
ECC  H   5 ( 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.
1I2W_B_CFXB2300_1
(BETA-LACTAMASE)		Cefoxitin5 / 12
SER A 123
ASN A 119
ASN A  28
GLY A 124
ALA A 116
1.76A22.29
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.
3MG0_H_BO2H1400_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		Bortezomib5 / 11
THR A 135
ALA A 173
GLY A 174
THR A 175
CYH A 160
1.45A19.41
23.08
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.
5YU9_C_1E8C1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Ibrutinib5 / 12
ALA A 173
MET A  49
MET A 165
GLY A 183
ASP A 187
1.76A20.95
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.
2PRG_A_BRLA1_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone5 / 12
GLY A  23
CYH A  22
HIS A  41
TYR A  54
LEU A  57
1.78A22.58
None
None
ECC  H   5 ( 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.
4WRZ_A_URFA302_1
(URACIL-DNA
GLYCOSYLASE)		Fluorouracil4 / 8
GLY A 146
TYR A 118
ASN A  28
HIS A 163
1.36A22.44
None
None
None
ECC  H   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS9_A_NILA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Nilotinib5 / 12
ALA A 129
VAL A 157
ILE A 152
THR A 111
ALA A   7
1.31A20.72
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.
1A4L_A_DCFA353_2
(ADENOSINE DEAMINASE)		Pentostatin4 / 5
LEU A  32
LEU A  30
SER A  10
LEU A 115
1.16A20.87
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.
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
1.31A20.34
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.
1ICT_D_T44D129_1
(TRANSTHYRETIN)		Levothyroxine4 / 6
ALA A 191
LEU A 167
SER H   2
THR A 190
1.35A19.12
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.
3LXN_A_MI1A1_1
(NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2)		Tofacitinib6 / 12
LEU A 167
GLY A 170
VAL A 171
ALA A 173
LYS A 137
ASP A 197
1.75A21.71
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		Benzyl alcohol4 / 5
LEU A  87
HIS A  41
THR A  25
CYH A  38
1.40A45.07
None
ECC  H   5 ( 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.
3KEC_A_HAEA272_1
(COLLAGENASE 3)		Acetohydroxamic Acid4 / 5
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.63A19.74
None
ECC  H   5 ( 4.7A)
None
ECC  H   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)		Nabumetone5 / 12
PHE A 150
VAL A 148
GLY A 149
CYH A 160
LEU A  30
1.53A17.35
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.
1ONI_B_BEZB504_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		Benzoic Acid4 / 7
LEU A 250
ILE A 249
ALA A 206
ILE A 200
1.17A20.06
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.
1YC2_D_NCAD510_0
(NAD-DEPENDENT
DEACETYLASE 2)		Nicotinamide4 / 5
ALA A 267
PHE A 219
ILE A 259
ASP A 263
1.36A20.06
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.
3UQ6_A_ADNA401_1
(ADENOSINE KINASE,
PUTATIVE)		Adenosine5 / 12
ILE A 281
LEU A 208
GLY A 275
LEU A 268
GLY A 278
1.21A20.57
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.
3AOD_C_RFPC2002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		Rifampicin5 / 12
MET A 165
PHE A 185
ARG A  40
GLY A 179
ARG A 105
1.56A14.90
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.
3O9M_B_BEZB999_0
(CHOLINESTERASE)		Benzoic Acid4 / 6
GLY A 146
GLY A  29
LEU A  87
HIS A 164
1.42A20.07
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.
2PYN_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP A 153
THR A 292
PRO A 293
1.17A17.67
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.
4ARC_A_LEUA1001_0
(LEUCINE--TRNA LIGASE)		L-Leucine4 / 7
TYR A 126
SER A 147
HIS A 172
HIS A 163
1.48A14.71
None
None
None
ECC  H   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZIF_B_SAMB298_0
(PUTATIVE
MODIFICATION
METHYLASE)		S-Adenosylmethionine6 / 12
ALA A 194
PRO A 184
PHE A 185
GLY A 174
THR A 175
TYR A 182
1.77A18.93
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.
1N6C_A_SAMA402_0
(SET
DOMAIN-CONTAINING
PROTEIN 7)		S-Adenosylmethionine5 / 11
ILE A 136
GLY A 170
GLU A 166
TYR A 126
GLU A 290
1.73A20.68
None
None
ECC  H   5 ( 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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		Ketoconazole6 / 12
PHE A 223
ALA A 267
LEU A 287
VAL A 212
ALA A 211
LEU A 271
1.78A18.78
None