PDB ID: 6vww


Macromolecule:
URIDYLATE-SPECIFIC
ENDORIBONUCLEASE

Source Organism:
SARS-CoV-2

Gene names:
1a-1b
rep

UniProt ID:
P0DTD1

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

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.
1J8U_A_H4BA429_1
(PHENYLALANINE-4-HYDR
OXYLASE)		Sapropterin5 / 7
VAL B 304
LEU B 300
PHE B 214
LEU B 215
ALA B 256
1.72A22.48
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.
4L1W_A_STRA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		Progesterone4 / 7
VAL A 321
ILE A 323
LEU A 300
LEU A 299
1.52A22.92
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.
3QEL_B_QELB1_1
(NMDA GLUTAMATE
RECEPTOR SUBUNIT
GLUTAMATE [NMDA]
RECEPTOR SUBUNIT
EPSILON-2)		Ifenprodil5 / 11
TYR B 194
THR B 322
ILE B 328
THR B 167
GLU B  69
1.64A21.63
19.55
None
GOL  B 406 (-3.3A)
None
GOL  B 402 (-3.4A)
GOL  B 402 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q70_A_RITA2001_2
(CANDIDAPEPSIN-2)		Ritonavir4 / 6
THR A  48
ILE A  80
ASP A  88
THR A  49
1.32A22.44
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.
4YV5_A_SVRA205_1
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		Suramin4 / 7
ASN B 200
TYR B 279
LEU B 251
PHE B 303
1.59A15.70
GOL  B 402 (-4.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S3Z_B_RIOB501_0
(AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE)		Ribostamycin4 / 8
VAL B 128
ARG B  62
HIS B  15
ASP B 125
1.62A19.05
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.
2ZZM_A_SAMA401_1
(UNCHARACTERIZED
PROTEIN MJ0883)		S-Adenosylmethionine3 / 3
ARG B  91
ASP B  79
ASN B  74
1.64A21.45
None
GOL  B 403 (-3.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MUR_B_PFLB407_1
(PROTON-GATED ION
CHANNEL)		Propofol4 / 7
PRO A 344
ILE A 328
ILE A 323
ILE A 306
1.48A21.09
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.
3V4T_H_ACTH503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid4 / 7
ALA A 232
ILE A 236
HIS A 250
GLY A 248
1.54A20.73
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.
5OV9_A_CVIA608_0
(ACETYLCHOLINESTERASE)		Gentian Violet4 / 7
ASP A 297
THR A 196
LEU A 298
VAL A 237
1.37A20.88
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.
6A5Y_D_9CRD501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin3 / 3
ASN B  63
VAL B  78
HIS B  96
1.57A22.71
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.
2EIM_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
ARG B 199
LYS B 205
PHE B 259
LEU B 252
1.25A23.35
9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERS_A_ACTA803_0
(GEPHYRIN)		Acetic acid3 / 3
THR A  48
ALA A  55
ASN A  46
0.86A21.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G5G_A_ACTA1231_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT
PUTATIVE XANTHINE
DEHYDROGENASE YAGT
IRON-SULFUR-BINDING
SUBUNIT)		Acetic acid3 / 3
ARG A 258
THR A 286
ASP A 283
1.23A19.22
23.92
 MG  A 403 ( 4.6A)
None
MG  A 403 (-2.9A)
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.
5ADD_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A  44
GLU A  57
VAL A  54
VAL A  32
1.60A22.42
GOL  A 401 (-4.4A)
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.
3DQR_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
VAL A  54
VAL A  32
PHE A  44
GLU A  57
1.59A22.42
None
None
GOL  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EIG_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA A  95
GLU A  57
PRO A  51
ASN A  53
TYR A  89
1.76A19.28
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.
5UHD_C_RFPC1201_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Rifampicin5 / 12
LEU B  58
HIS B  96
PRO B 112
ASN B  83
ILE B 100
1.52A14.64
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.
1R5L_A_VIVA301_0
(PROTEIN
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN))		Vitamin E5 / 12
PHE A 214
ILE A 296
PHE A 204
VAL A 237
VAL A 295
1.28A20.74
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.
1QAO_A_SAMA245_0
(ERMC'
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
PHE A 195
GLY A 157
ILE A 144
ASP A 125
ILE A  86
1.52A21.98
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.
3O1C_A_ADNA127_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 1)		Adenosine5 / 10
ILE B 296
ILE B 328
SER B 329
SER B 294
HIS B 250
1.64A15.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QQD_B_AG2B671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		Agmatine4 / 8
ILE B 253
ARG B 199
ASP B 297
LEU B 298
1.32A15.15
20.17
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.
4R29_D_SAMD301_1
(UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine3 / 3
ARG A 225
GLU A 229
TYR A 226
1.68A22.22
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.
4HYF_B_NCAB1201_0
(TANKYRASE-2)		Nicotinamide4 / 8
HIS A 250
GLY A 248
ALA A 232
GLU A 340
1.15A24.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5K_A_08JA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		Midazolam4 / 8
PRO A  68
VAL A  78
LEU A  76
ILE A 144
1.23A16.67
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.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		Erlotinib5 / 12
SER A 162
ASN A 178
PHE A 177
PHE A 123
ASP A 125
1.59A22.07
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.
6FOS_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		Phylloquinone4 / 6
MET A   1
GLY A  21
ALA A   7
LEU A   3
1.52A18.29
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.
4IKK_A_SUZA201_1
(TRANSTHYRETIN)		Sulindac5 / 8
LEU A 249
LEU A 246
SER A 288
THR A 282
SER A 244
1.66A16.34
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.
3WAR_A_NIOA401_1
(CASEIN KINASE II
SUBUNIT ALPHA)		Niacin4 / 8
VAL B 122
ILE B 116
ILE B 108
ASP B 107
1.22A23.16
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.
2QO5_A_CHDA131_0
(LIVER-BASIC FATTY
ACID BINDING PROTEIN)		Cholic Acid5 / 12
ILE B 144
THR B 145
VAL B  78
PHE B 135
LEU B 134
1.51A17.66
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.
4ACB_C_DXCC1478_0
(TRANSLATION
ELONGATION FACTOR
SELB)		Deoxycholic Acid4 / 6
ASP A 268
THR A 282
ILE A 281
PHE A 269
1.56A23.69
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.
3GCZ_A_SAMA4633_0
(POLYPROTEIN)		S-Adenosylmethionine6 / 12
GLY A 254
GLY A 239
THR A 341
LEU A 332
VAL A 339
ILE A 307
1.60A23.54
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.
2I2Z_A_SALA1100_1
(SERUM ALBUMIN)		Salicylic acid4 / 5
LEU A 120
ILE A  80
ILE A 100
ALA A 109
0.98A20.50
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.
4QVN_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 9
ALA B  82
THR B  84
ALA B  81
VAL B 132
GLY B 126
1.74A20.43
20.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
GLN B 197
PHE B 204
LEU B 215
PHE B 214
1.48A23.35
9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX3_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
VAL A  54
VAL A  32
PHE A  44
GLU A  57
1.59A22.42
None
None
GOL  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZW9_B_SAMB801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		S-Adenosylmethionine5 / 12
THR B 341
GLY B 239
ASP B 240
ASN B 278
TYR B 343
1.60A19.62
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.
3I5U_B_SAMB401_1
(O-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
ASP A 240
PHE A 241
SER A 244
1.52A18.54
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.
2HYY_D_STID600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
TYR B 194
GLU B 211
ILE B 253
PHE B 342
ASP B 301
1.50A22.37
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.
2VCV_L_ASDL1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		4-Androstenedione4 / 7
ALA A 118
ALA A 138
PHE A 135
PHE A 124
1.37A21.72
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.
3QXV_E_MTXE2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		Methotrexate5 / 12
CYH B 103
ALA B  55
TRP B  59
VAL B 102
ALA B  60
1.77A15.54
None
None
GOL  B 405 (-3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJT_A_SAMA501_0
(N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE)		S-Adenosylmethionine6 / 12
LEU A 134
ASN A  83
ILE A 100
ALA A  82
ASP A 133
PHE A 124
1.68A22.92
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.
3MSS_A_STIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 6
VAL A  67
VAL A  78
ILE A  72
ARG A  62
1.65A22.82
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.
4CX7_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		Sapropterin4 / 8
SER B 309
ILE B 307
PHE B 330
GLU B 305
1.78A22.05
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.
4ACA_C_DXCC1479_0
(TRANSLATION
ELONGATION FACTOR
SELB)		Deoxycholic Acid4 / 5
THR B 275
ILE B 323
GLU B 327
PHE B 195
1.69A23.69
GOL  B 401 (-4.4A)
None
GOL  B 406 (-3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFN_A_ROCA401_2
(HIV-1 PROTEASE)		Saquinavir5 / 7
ASP A 107
VAL A 122
ILE A  97
VAL A  85
VAL A 102
1.69A15.90
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.
1MZ9_D_VDYD1001_1
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol3 / 3
LEU B 168
THR B 175
LEU B 143
1.07A7.94
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.
3ELU_A_SAMA4633_0
(METHYLTRANSFERASE)		S-Adenosylmethionine6 / 12
GLY A 254
GLY A 239
THR A 341
LEU A 332
VAL A 339
ILE A 307
1.51A23.66
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.
1UWJ_B_BAXB1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib3 / 3
ILE B 281
ASP B 268
PHE B 269
0.99A19.95
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.
4XK8_A_PQNA845_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		Phylloquinone4 / 8
PHE A 124
ARG A 139
ALA A 118
GLY A 141
1.28A19.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
ARG B 199
LYS B 205
PHE B 259
LEU B 252
1.19A23.35
9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_C_PCFC1803_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate4 / 8
SER A  98
THR A  99
VAL A  85
PRO A  94
1.40A11.81
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.
1MX1_D_THAD4_2
(LIVER
CARBOXYLESTERASE I)		Tacrine3 / 3
PHE B 204
LEU B 215
MET B 210
1.42A23.29
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.
4OKB_A_198A1002_2
(ANDROGEN RECEPTOR)		Bicalutamide4 / 6
LEU B 134
ASN B 137
LEU B 143
VAL B 187
1.19A21.33
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.
1DHI_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 11
ALA A  93
LEU A  58
ILE A  80
ILE A  97
THR A  48
1.53A17.34
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.
5KR0_A_478A101_1
(PROTEASE E35D-APV)		Amprenavir5 / 9
ALA B  81
ASP B 125
ILE B 144
VAL B  70
ILE B  86
1.55A12.47
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.
4NKX_C_STRC601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Progesterone4 / 5
ILE A 253
ASP A 213
GLU A 211
VAL A 304
1.60A21.55
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.
6EMU_C_SAMC301_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		S-Adenosylmethionine6 / 12
PRO B 344
ILE B 306
ILE B 236
THR B 341
ILE B 323
VAL B 276
1.55A20.84
None
None
None
None
None
GOL  B 401 (-4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_C_SVRC505_2
(PHOSPHOLIPASE A2)		Suramin4 / 5
VAL B 319
VAL B 318
GLN B 347
PHE B 303
1.52A14.92
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.
1PBK_A_RAPA225_1
(FKBP25)		Sirolimus5 / 12
ASP A 297
LEU A 300
VAL A 304
ILE A 306
ILE A 323
1.47A17.24
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.
3Q5S_A_ACHA1289_0
(MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR)		Acetylcholine4 / 6
VAL B 295
ASN B 278
TYR B 279
ILE B 281
1.70A20.88
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.
5OY0_B_PQNB841_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		Phylloquinone5 / 11
ILE B  80
ARG B  62
ALA B  60
LEU B  58
ALA B  55
1.79A18.80
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.
2V0M_B_KLNB1499_1
(CYTOCHROME P450 3A4)		Ketoconazole4 / 7
SER A  98
ILE A  97
ILE A 108
GLY A  77
0.94A21.78
None
None
None
GOL  A 404 (-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.
1TKQ_B_DVAB8_0
(GRAMICIDIN A)		L-Valine4 / 5
VAL B 166
GLY B 165
TRP B  87
TRP B  59
1.38A6.25
None
None
None
GOL  B 405 (-3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N4H_A_REAA500_1
(NUCLEAR RECEPTOR
ROR-BETA)		Tretinoin5 / 11
GLN B 131
ILE B 100
ALA B  82
VAL B 122
ALA B 118
1.31A19.20
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.
3BWM_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
SER A 262
GLU A 265
ASP A 283
1.60A20.21
 MG  A 403 (-2.0A)
None
MG  A 403 (-2.9A)
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.
5Z84_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
GLN B 197
PHE B 204
LEU B 215
PHE B 214
1.52A23.35
9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B3B_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		S-Adenosylmethionine5 / 12
GLY B 126
GLY B 130
ASN B  83
ILE B 144
LEU B 143
1.44A23.05
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.
4Z91_F_4LEF401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		Isoflurane5 / 7
THR B 196
LEU B 298
THR B 275
THR B 326
THR B 193
1.37A21.85
None
None
GOL  B 401 (-4.4A)
GOL  B 401 ( 3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J7X_F_SASF805_1
(SEPIAPTERIN
REDUCTASE)		Sulfasalazine5 / 12
LEU B 201
PHE B 264
TYR B 279
ASP B 283
GLY B 239
1.66A23.75
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.
3BRF_A_SORA1_0
(LIN-12 AND GLP-1
PHENOTYPE PROTEIN 1,
ISOFORM A)		Sorbitol3 / 3
GLY B 101
ASP B 107
SER B 104
1.17A23.34
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.
7DFR_A_FOLA161_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
ASP A  79
LEU A 120
ARG A 139
1.50A17.34
GOL  A 404 (-2.5A)
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.
2OKC_B_SAMB500_1
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		S-Adenosylmethionine4 / 6
THR A 175
THR A 167
THR A 196
ASP A 302
1.49A21.87
None
GOL  A 405 (-3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LHV_A_NOGA301_1
(SEX HORMONE-BINDING
GLOBULIN)		Levonorgestrel4 / 8
SER A 155
THR A 326
PHE A 195
LEU A 190
1.40A21.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IW1_A_ASDA1223_1
(CYTOCHROME P450
CYP125)		4-Androstenedione5 / 12
VAL B 321
PHE B 330
VAL B 319
SER B 309
ILE B 307
1.36A23.21
GOL  B 406 ( 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.
1NW3_A_SAMA500_0
(HISTONE
METHYLTRANSFERASE
DOT1L)		S-Adenosylmethionine5 / 12
ASP B  79
VAL B  78
ALA B 109
LEU A 120
ASN B 140
1.66A19.82
GOL  B 403 (-3.0A)
None
None
None
GOL  B 403 ( 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.
3U52_A_CUA515_0
(PHENOL HYDROXYLASE
COMPONENT PHL
PHENOL HYDROXYLASE
COMPONENT PHN)		Copper3 / 3
HIS A 250
HIS A 235
ILE A 236
1.17A20.37
18.96
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.
4IKI_A_IMNA201_1
(TRANSTHYRETIN)		Indomethacin3 / 3
LYS B 257
LEU B 215
ALA B 256
1.74A16.34
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.
4QW1_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 10
THR B 113
ALA B  82
ALA B  81
GLY B 130
ASP B 125
1.60A20.43
20.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HYF_A_NCAA1201_0
(TANKYRASE-2)		Nicotinamide4 / 7
HIS A 250
GLY A 248
ALA A 232
GLU A 340
1.18A24.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P50_A_PFLA319_1
(GLR4197 PROTEIN)		Propofol4 / 7
PRO A 158
ILE A  72
LEU A  73
ILE A 144
1.22A20.16
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.
2WD9_C_IBPC1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		Ibuprofen5 / 10
LEU B 163
VAL B 173
GLY B 170
GLN B 160
THR B 167
1.45A26.22
None
None
None
None
GOL  B 402 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B2R_B_VDNB1_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Vardenafil5 / 11
LEU A  73
ALA A  95
ILE A  86
ILE A 100
PHE A 123
1.53A22.17
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.
6CLX_B_SAMB401_0
(O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 10
ALA B  82
GLY B 126
SER B 148
VAL B 128
ASP B 133
1.63A22.28
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.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Haloperidol4 / 6
SER A 155
GLN A 153
GLU A 192
THR A 322
1.72A19.84
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		Ticlopidine5 / 11
ILE A  86
ILE A 144
PHE A 123
ALA A  81
GLY A 126
1.31A21.16
None
None
None
None
GOL  A 402 (-3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4C_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
ARG A 199
ILE A 169
GLN A 160
ASP A 297
1.44A17.96
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.
4QN9_B_DXCB610_0
(N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D)		Deoxycholic Acid3 / 3
GLY A 157
PRO A 158
ALA A 161
1.03A21.23
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.
3NLJ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
VAL A  54
VAL A  32
PHE A  44
GLU A  57
1.64A22.42
None
None
GOL  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		L-Threonine4 / 7
PHE B 124
PHE B 135
GLY B 141
GLY B 185
1.49A21.46
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.
4OT2_A_NPSA601_1
(SERUM ALBUMIN)		Naproxen5 / 12
ASN A  75
TYR A 179
VAL A  78
GLY A  77
LEU A  73
1.48A21.42
None
None
None
GOL  A 404 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		Ketoconazole5 / 12
PHE A 233
PHE A 222
PHE A 342
LEU A 299
LEU A 251
1.40A23.67
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.
4ZE1_A_X2NA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Posaconazole4 / 5
VAL B 128
TYR B 325
ILE B 323
PRO B  68
1.21A20.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYK_B_IMNB300_1
(LACTOYLGLUTATHIONE
LYASE)		Indomethacin6 / 12
PHE A 214
MET A 219
LEU A 215
PHE A 204
GLY A 248
LEU A 255
1.71A20.11
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.
3LW5_B_PQNB5002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		Phylloquinone5 / 10
ILE B  80
ARG B  62
ALA B  60
LEU B  58
ALA B  55
1.58A18.92
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.
5UUN_B_ACTB308_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid3 / 3
LEU A 251
ILE A 296
TYR A 194
1.28A22.22
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.
3UT5_B_LOCB502_1
(TUBULIN BETA CHAIN)		Colchicine5 / 12
ALA A 138
ALA A 109
ILE A  80
LYS A 111
ILE A 116
1.37A20.54
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.
4LAX_A_FK5A301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP4)		Tacrolimus5 / 10
PHE A 233
VAL A 304
ILE A 306
ILE A 296
PHE A 342
1.63A23.22
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.
4IV0_A_SAMA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine5 / 12
VAL B 142
GLY B 157
ILE B 144
ILE B  72
LEU B  76
1.40A23.95
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.
3OU6_B_SAMB300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
TYR A 179
ASP A 324
ASP A 297
0.98A19.10
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.
2CL5_B_SAMB1217_1
(CATECHOL
O-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 6
SER A 198
TYR A 279
GLN A 347
ASP A 273
1.78A20.74
GOL  A 405 (-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.
1DTL_A_BEPA205_1
(CARDIAC TROPONIN C)		Bepridil5 / 12
ILE A 306
LEU A 228
PHE A 233
LEU A 251
MET A 210
1.45A20.27
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.
1IGX_A_EPAA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		Icosapent4 / 8
VAL A 304
VAL A 237
ILE A 223
LEU A 300
1.19A20.34
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.
3JX4_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A  44
GLU A  57
VAL A  54
VAL A  32
1.64A22.42
GOL  A 401 (-4.4A)
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.
3SUD_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir5 / 12
PHE B 135
GLY B 141
ILE B 108
ALA B 138
ALA B 118
1.52A20.05
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.
5ZCO_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
GLN B 197
PHE B 204
LEU B 215
PHE B 214
1.51A23.35
9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HUA_A_FK5A201_1
(FK506-BINDING
PROTEIN 1)		Tacrolimus5 / 11
PHE B 177
VAL B  67
ILE B  86
LEU B  76
PHE B 123
1.77A15.76
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.
3FI0_Q_TRPQ1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		L-Tryptophan4 / 8
VAL B 102
ASP B 107
ILE B 108
VAL B 122
1.10A21.77
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.
1CQP_A_803A311_1
(ANTIGEN CD11A (P180))		Lovastatin5 / 10
VAL A 321
ILE A 323
TYR A 194
GLU A 211
LEU A 251
1.33A21.20
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.
5CF9_B_NCAB302_0
(RIBOSOME-INACTIVATIN
G PROTEIN MOMORDIN I)		Nicotinamide5 / 9
ILE B 307
PHE B 342
TYR B 194
ILE B 306
GLU B 305
1.72A21.61
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.
4PCU_B_SAMB603_0
(CYSTATHIONINE
BETA-SYNTHASE)		S-Adenosylmethionine5 / 9
LEU A 134
PHE A 124
ASP A 125
GLN A 131
THR A  84
1.76A21.48
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.
5N5D_A_SAMA306_0
(METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ALA A   7
VAL A   6
GLU A  45
ALA A  93
ALA A  55
1.27A20.39
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.
4L4E_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 8
THR A  48
THR A 106
VAL A  54
VAL A  85
1.02A23.16
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.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		Pyridoxine5 / 10
ASP B 107
ALA B 109
VAL B 102
VAL B 122
CYH B 117
1.73A22.22
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.
4W5T_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
ARG A 199
ILE A 169
GLN A 160
ASP A 297
1.35A17.96
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.
1CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 10
PHE A 177
ASN A  63
LEU A  73
VAL A  78
ILE A  86
1.59A20.58
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.
3KPB_A_SAMA1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		S-Adenosylmethionine5 / 12
ILE B 306
ASP B 302
VAL B 321
ILE B 328
ILE B 296
1.33A16.57
None
None
GOL  B 406 ( 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.
1GX9_A_REAA1163_1
(BETA-LACTOGLOBULIN)		Tretinoin5 / 11
LEU A 251
ILE A 328
GLU A 305
ILE A 323
VAL A 276
1.46A17.20
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.
2P16_A_GG2A298_1
(COAGULATION FACTOR X
(EC 3.4.21.6)
(STUART FACTOR)
(STUART-PROWER
FACTOR))		Apixaban5 / 12
TYR B 180
PHE B 123
ASP B 129
GLY B 126
GLY B 130
1.49A21.47
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.
5DQY_A_BEZA401_0
(THIOREDOXIN)		Benzoic Acid4 / 8
ILE B 323
VAL B 321
SER B 309
GLU B 305
1.42A14.52
None
GOL  B 406 ( 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.
4L4D_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 8
THR A  48
THR A 106
VAL A  54
VAL A  85
0.97A23.16
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.
3RC0_B_SAMB480_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		S-Adenosylmethionine5 / 12
VAL A 237
GLY A 248
TYR A 343
LEU A 300
TYR A 231
1.55A20.26
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.
5MZJ_A_TEPA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		Theophylline4 / 8
LEU A 201
PHE A 264
LEU A 249
ILE A 281
1.44A19.49
ACY  A 406 (-3.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z90_E_4LEE401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		Isoflurane5 / 7
THR B 196
LEU B 298
THR B 275
THR B 326
THR B 193
1.35A21.85
None
None
GOL  B 401 (-4.4A)
GOL  B 401 ( 3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW3_B_TOPB208_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 9
LEU A 190
VAL A 142
ILE A  72
LEU A  73
ILE A 144
1.69A20.90
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.
5IEO_A_VDYA206_2
(CDL2.3A)		Calcidiol4 / 8
ILE B 253
LEU B 228
ILE B 223
LEU B 299
0.74A18.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FP9_A_SAMA401_1
(METHYLTRANSFERASE
NSUN4)		S-Adenosylmethionine3 / 3
ASP B 297
ARG B 199
ASP B 273
1.09A21.67
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.
5X7F_A_SAMA301_0
(PUTATIVE
O-METHYLTRANSFERASE
RV1220C)		S-Adenosylmethionine5 / 12
VAL A   6
VAL A  10
GLU A  45
ALA A  93
ALA A  55
1.32A21.80
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.
5G0P_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
VAL A  54
VAL A  32
PHE A  44
GLU A  57
1.64A22.42
None
None
GOL  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLR_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 8
PHE A  44
GLU A  57
VAL A  54
VAL A  32
1.62A22.42
GOL  A 401 (-4.4A)
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.
4XV2_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib5 / 12
ALA A  82
LEU A 143
LEU A 134
GLY A 130
ASP A 129
1.55A22.14
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.
3ASO_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid4 / 8
ARG B 199
LYS B 205
PHE B 259
LEU B 252
1.21A23.35
9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EKX_B_SAMB4000_0
(NS5
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B 254
GLY B 239
THR B 341
VAL B 339
ILE B 307
1.35A22.72
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.
4CX4_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
VAL A  54
VAL A  32
PHE A  44
GLU A  57
1.57A22.42
None
None
GOL  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZQE_B_DXCB1079_0
(PROTEIN PRGI, CELL
INVASION PROTEIN
SIPD)		Deoxycholic Acid5 / 11
PRO A 158
THR A 322
TYR A 325
GLN A 189
SER A 155
1.46A22.75
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.
4QTU_D_SAMD301_1
(PUTATIVE
METHYLTRANSFERASE
BUD23)		S-Adenosylmethionine4 / 5
GLN B 160
SER B 162
ASP B 273
ASP B 268
1.65A20.65
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.
2EIM_W_CHDW1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
ARG B 199
LYS B 205
PHE B 259
LEU B 252
1.23A23.35
9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_C_CHDC3271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		Cholic Acid4 / 7
ARG B 199
LYS B 205
PHE B 259
LEU B 252
1.22A23.35
9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JCN_A_ASCA502_0
(OS09G0567300 PROTEIN)		Vitamin C4 / 5
GLU A  69
PRO A  68
PHE A 177
ARG A 127
1.80A23.46
GOL  A 405 (-4.6A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9N_A_CAMA1419_0
(CYTOCHROME P450)		Camphor5 / 8
TYR B 179
LEU B  73
LEU B  76
GLY B  77
THR B 121
1.71A20.78
None
None
None
GOL  B 403 (-4.0A)
GOL  B 403 (-4.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X24_A_LSNA503_1
(CYTOCHROME P450 2C9)		Losartan4 / 6
PRO A  51
THR A  48
ASN A  30
LYS A  47
1.66A21.59
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		Methysergide6 / 12
THR A 145
VAL A 183
PHE A 135
GLY A 126
PHE A 123
TYR A 325
1.77A22.57
GOL  A 402 (-4.2A)
None
None
GOL  A 402 (-3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A4I_A_TRPA403_0
(TRYPTOPHAN
2,3-DIOXYGENASE)		L-Tryptophan4 / 8
GLU B  69
PRO B 158
ILE B 144
PRO B  68
1.63A24.75
GOL  B 402 ( 4.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T6Z_B_RBFB596_1
(RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE)		Riboflavin5 / 11
THR A 326
VAL A  78
ASN A  74
TYR A 325
ILE A  72
1.44A21.68
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.
2QX6_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Melatonin4 / 6
PHE A 264
ILE A 281
GLY A 248
GLY A 247
1.08A21.81
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.
1J96_A_TESA903_1
(3ALPHA-HYDROXYSTEROI
D DEHYDROGENASE TYPE
3)		Testosterone4 / 6
TYR A 238
VAL A 304
ILE A 307
LEU A 249
1.48A23.29
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.
2BFP_A_H4BA1290_1
(PTERIDINE REDUCTASE
1)		Sapropterin4 / 8
PHE A 222
LEU A 300
TYR A 226
LEU A 215
1.08A21.75
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.
5HNZ_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
ASP A 273
HIS A  96
PHE A 123
ARG A  62
PRO A  68
1.70A20.62
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.
5X23_A_LSNA503_1
(CYTOCHROME P450 2C9)		Losartan4 / 5
PRO A  51
THR A  48
ASN A  30
LYS A  47
1.79A21.59
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.
4LG1_B_SAMB301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		S-Adenosylmethionine5 / 12
ALA A  82
LEU A  76
LYS A  71
ALA A  81
GLU A  69
1.43A23.08
None
None
GOL  A 405 ( 4.9A)
None
GOL  A 405 (-4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YDQ_A_HFGA802_0
(PROLINE--TRNA LIGASE)		Halofuginone5 / 12
LEU B 312
PHE B 342
GLU B 234
PHE B 303
GLY B 239
1.73A21.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KM6_B_EAAB222_1
(GLUTATHIONE
S-TRANSFERASE P)		Etacrynic acid5 / 9
PHE A 135
VAL A 149
VAL A 187
GLN A 188
ASN A 178
1.60A21.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1Q_A_T27A601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Rilpivirine5 / 12
LEU B 190
VAL B 142
TYR B 180
PRO B 158
TYR B 325
1.67A21.57
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.
4RET_A_DGXA1107_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		Digoxin5 / 12
GLN A 188
GLY A 141
ALA A 138
PHE A 135
LEU A 152
1.41A16.12
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.
3DEU_A_SALA305_1
(TRANSCRIPTIONAL
REGULATOR SLYA)		Salicylic acid4 / 7
VAL A 276
THR A 275
ILE A 328
THR A 196
0.92A19.41
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.
4M2R_A_BZ1A302_1
(CARBONIC ANHYDRASE 2)		Brinzolamide5 / 12
ASN A  75
PHE A 330
VAL A 295
LEU A 298
THR A 196
1.25A22.68
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.
6CE2_B_SVRB202_1
()		Suramin4 / 8
LEU A  76
LEU A  73
LEU A 143
GLY A 126
1.12A15.14
None
None
None
GOL  A 402 (-3.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZJQ_A_ERYA1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		Erythromycin5 / 11
SER B 309
LEU B 190
GLU B 327
ASP B 302
GLU B 305
1.65A16.28
None
None
GOL  B 406 (-3.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QQC_A_AG2A671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		Agmatine4 / 7
ILE B 253
ARG B 199
ASP B 297
LEU B 298
1.39A15.15
10.23
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.
1N13_F_AG2F7016_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 8
ASP B 297
LEU B 298
ILE B 253
ARG B 199
1.32A10.20
15.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C12_D_SPMD1434_1
(NITROALKANE OXIDASE)		Spermine5 / 10
VAL B  67
ALA B 161
LEU B  73
VAL B  70
ASP B 273
1.77A21.91
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.
1I6V_C_RFPC1640_1
(DNA-DIRECTED RNA
POLYMERASE)		Rifampicin5 / 12
GLN B 197
LEU B 299
SER B 208
GLU B 216
ILE B 212
1.69A15.62
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.
1P2Y_A_NCTA440_1
(CYTOCHROME P450-CAM)		Nicotine5 / 7
LEU B 300
VAL B 237
GLY B 254
ILE B 296
VAL B 295
1.57A23.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DH3_A_017A101_0
(PROTEASE)		Darunavir5 / 12
GLY A 254
GLY A 248
ILE A 236
PRO A 344
ILE A 296
1.20A13.93
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.
5DLV_A_5D5A930_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		Tauroursodeoxycholic acid5 / 12
ASP B 324
THR B 196
LEU B 298
HIS B 235
PHE B 330
1.40A17.90
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.
1V54_C_CHDC3271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		Cholic Acid4 / 8
ARG B 199
LYS B 205
PHE B 259
LEU B 252
1.20A23.35
9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O1X_A_ADNA1450_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 1)		Adenosine5 / 10
ILE B 296
ILE B 328
SER B 329
SER B 294
HIS B 250
1.75A15.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A06_D_SORD1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		Sorbitol4 / 6
CYH A 117
LYS A 111
GLY A 101
ASP A 107
1.57A22.52
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.
2V95_A_HCYA1375_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		Hydrocortisone5 / 12
ALA B  82
VAL B 122
THR B 115
ILE B 108
ASP B 107
1.75A20.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IFV_A_T27A601_1
(EXORIBONUCLEASE H,
P66 RT)		Rilpivirine5 / 12
LEU B 190
VAL B 142
TYR B 180
PRO B 158
TYR B 325
1.63A21.57
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.
2X45_B_HSMB1160_1
(ALLERGEN ARG R 1)		Histamine4 / 7
SER B 309
VAL B 339
TYR B 231
ILE B 307
1.70A16.44
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.
3DZY_A_9CRA463_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE B 281
SER B 262
PHE B 264
ALA B 284
VAL B 295
1.49A24.41
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.
3MWS_B_017B201_2
(HIV-1 PROTEASE)		Darunavir6 / 12
ALA A  81
ASP A 125
VAL A  67
ILE A 144
VAL A  70
ILE A  86
1.71A12.84
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.
3SUF_B_SUEB1201_3
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir4 / 5
SER A 329
PRO A 344
TYR A 343
VAL A 276
1.68A19.57
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.
1RE7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A  93
LEU A  58
ILE A  80
ILE A  97
THR A  48
1.45A17.34
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.
2FXE_A_DR7A102_1
(POL PROTEIN)		Atazanavir5 / 12
GLY A 147
GLY A 157
ILE A 144
PHE A 195
VAL A 173
1.20A14.21
GOL  A 402 (-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.
6AK3_B_P2EB1201_1
(PROSTAGLANDIN E2
RECEPTOR EP3
SUBTYPE,SOLUBLE
CYTOCHROME B562)		Dinoprostone4 / 5
PRO B  94
VAL B  85
GLY B  77
VAL B  70
1.48A21.17
None
None
GOL  B 403 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZZM_A_SAMA401_0
(UNCHARACTERIZED
PROTEIN MJ0883)		S-Adenosylmethionine5 / 12
LEU A 190
PHE A 123
GLY A 141
ILE A  80
LEU A  73
1.56A21.45
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.
1TW4_B_CHDB1131_0
(FATTY ACID-BINDING
PROTEIN)		Cholic Acid5 / 10
LEU B 190
ILE B 328
THR B 322
VAL B 276
THR B 275
1.73A17.00
None
None
GOL  B 406 (-3.3A)
GOL  B 401 (-4.6A)
GOL  B 401 (-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.
4IFY_A_T27A601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Rilpivirine5 / 12
LEU B 190
VAL B 142
TYR B 180
PRO B 158
TYR B 325
1.65A21.57
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.
6DH0_A_017A101_2
(PROTEASE)		Darunavir3 / 3
LEU B 252
ASP B 302
ILE B 323
0.83A14.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GIQ_T_PCFT101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		Colfosceril palmitate4 / 8
SER A 274
GLY A 248
ASN A 278
VAL A 292
0.94A21.23
19.90
12.05
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.
5ND4_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL B  78
ASP B  79
LEU B 143
PHE B 124
ARG B 139
1.64A23.19
None
GOL  B 403 (-3.0A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PGH_D_SAMD401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
THR A 196
LEU A 215
ASP A 213
MET A 210
PHE A 222
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.
1FM6_D_BRLD503_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone4 / 4
ILE B  86
LEU B  76
VAL B 142
ILE B 144
1.42A22.39
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.
4A9K_A_TYLA2200_1
(CREB-BINDING PROTEIN)		Acetaminophen4 / 6
VAL A 237
LEU A 251
ILE A 253
VAL A 304
1.24A14.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HW8_D_FK5D201_1
(FK506-BINDING
PROTEIN 1)		Tacrolimus5 / 11
ASP B 297
ARG B 199
VAL B 304
ILE B 306
ILE B 323
1.37A15.56
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.
2BXE_B_1FLB2001_1
(SERUM ALBUMIN)		Diflunisal5 / 12
ASN A  75
TYR A 179
VAL A  78
GLY A  77
LEU A  73
1.53A20.50
None
None
None
GOL  A 404 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLQ_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A  44
GLU A  57
VAL A  54
VAL A  32
1.61A22.42
GOL  A 401 (-4.4A)
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.
5YKF_B_GBMB2001_1
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8 ISOFORM X2)		Glyburide5 / 11
TYR B 238
ILE B 236
PHE B 303
LEU B 300
LEU B 215
1.70A12.64
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.
4HYT_A_OBNA1104_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		Ouabain4 / 5
PRO A  51
ASN A  53
ILE A  27
VAL A   6
1.80A16.12
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.
3CB8_A_SAMA501_0
(PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME)		S-Adenosylmethionine5 / 12
TYR A 238
SER A 208
ASP A 301
VAL A 237
LEU A 251
1.55A21.96
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.
4R29_D_SAMD301_0
(UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine5 / 12
SER A 208
ARG A 199
ILE A 236
GLY A 254
TYR A 238
1.47A22.22
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.
4URO_D_NOVD2000_1
(DNA GYRASE SUBUNIT B)		Novobiocin5 / 12
GLU A 114
ILE A 100
PRO A 112
ILE A  80
SER A  98
1.71A22.55
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.
2Y7J_B_B49B1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		Sunitinib5 / 10
ILE B 281
LEU B 252
GLY B 254
LEU B 249
ASP B 283
1.45A23.40
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.
5LJC_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		Vitamin A4 / 7
LEU A 251
LYS A  71
ILE A  72
THR A 275
1.64A16.98
None
GOL  A 405 ( 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.
2XKW_B_P1BB1475_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Pioglitazone4 / 6
LEU B 152
ARG B 136
ILE B  80
LEU B  73
0.87A23.97
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.
4E1G_A_LNLA701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Alpha-Linolenic Acid5 / 12
PHE A 264
PHE A 241
GLY A 247
GLY A 254
LEU A 255
1.30A21.44
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.
2DYS_C_CHDC310_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
ARG B 199
LYS B 205
PHE B 259
LEU B 252
1.21A23.35
9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HZP_A_FVTA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		Aminolevulinic acid4 / 8
VAL B 166
GLN B 202
ASN B 200
GLU B 203
1.19A22.66
None
None
GOL  B 402 (-4.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y2T_B_8LXB501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Lobeglitazone5 / 12
PHE A 330
ILE A 236
ILE A 281
LEU A 255
ILE A 296
1.48A25.06
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.
2Y00_A_Y00A601_1
(BETA-1 ADRENERGIC
RECEPTOR)		Dobutamine5 / 12
LEU B  73
VAL B  70
ASP B 125
VAL B 128
ASN B  63
1.51A23.12
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.
4UCK_A_SAMA2409_1
(RNA-DIRECTED RNA
POLYMERASE L)		S-Adenosylmethionine3 / 3
SER B 162
ASP B  79
ASP B 273
0.73A22.12
None
GOL  B 403 (-3.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EYP_B_LOCB502_2
(TUBULIN BETA CHAIN)		Colchicine6 / 12
ALA B 138
ALA B 109
ILE B  80
LYS B 111
ALA B  82
ILE B 116
1.52A20.83
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.
3N9J_A_EAAA210_1
(GLUTATHIONE
S-TRANSFERASE P)		Etacrynic acid4 / 8
PHE B 123
VAL B  78
ILE B 100
GLY B 141
1.43A21.28
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.
1TV8_A_SAMA1501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		S-Adenosylmethionine4 / 7
THR A 322
GLU A 192
THR A 193
SER A 155
1.52A20.60
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.
3JX3_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
VAL A  54
VAL A  32
PHE A  44
GLU A  57
1.58A22.42
None
None
GOL  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DG3_A_RAPA501_1
(FK506-BINDING
PROTEIN 1A)		Sirolimus5 / 11
TYR A 231
GLU A 340
ILE A 236
ILE A 306
PHE A 233
1.64A15.48
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		Tamibarotene5 / 12
VAL A  70
LEU A  73
VAL A  78
THR A 106
LEU A  50
1.41A18.47
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.
6C06_D_FI8D1404_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		Fidaxomicin4 / 8
ILE B 281
THR B 282
THR B 286
SER B 244
1.21A16.29
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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		Fludrocortisone5 / 12
LEU A  73
ASN A  74
LEU A  76
GLY A  77
VAL A 122
0.96A21.95
None
None
None
GOL  A 404 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KLR_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 8
LEU A 228
SER A 208
LYS A 257
GLY A 254
1.09A23.83
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.
4KTV_C_ADNC403_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		Adenosine5 / 11
HIS A 250
PRO A 344
PHE A 303
ASP A 302
ILE A 253
1.54A22.79
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.
2HA4_A_ACHA546_0
(ACETYLCHOLINESTERASE)		Acetylcholine4 / 8
TYR B 226
TYR B 238
PHE B 233
GLY B 254
1.58A21.27
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.
6BQG_A_ERMA1201_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562)		Ergotamine6 / 12
ASP A 301
SER A 208
VAL A 237
GLY A 254
PHE A 222
GLU A 229
1.68A21.31
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.
6EBZ_A_DAHA123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		Levodopa5 / 11
PHE B 330
THR B 341
PHE B 303
ILE B 306
ILE B 307
1.39A25.48
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.
1P33_A_MTXA351_1
(PTERIDINE REDUCTASE
1)		Methotrexate5 / 12
ARG B 199
TYR B 194
LEU B 251
LEU B 300
MET B 210
1.68A21.94
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.
3FI0_B_TRPB1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		L-Tryptophan4 / 8
VAL B 102
ASP B 107
ILE B 108
VAL B 122
1.09A21.77
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.
4AGD_A_B49A2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Sunitinib5 / 11
LEU B 215
VAL B 237
PHE B 204
LEU B 300
PHE B 222
1.49A24.88
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.
3RC0_A_SAMA484_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		S-Adenosylmethionine5 / 11
VAL A 237
GLY A 248
TYR A 343
LEU A 300
TYR A 231
1.59A20.26
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.
3QL3_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A  93
LEU A  58
ILE A  80
ILE A  97
THR A  48
1.53A17.34
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.
5JKV_A_ASDA602_1
(AROMATASE)		4-Androstenedione5 / 12
ILE A 328
PHE A 330
ASP A 324
LEU A 251
LEU A 298
1.33A21.28
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.
5H5F_A_SAMA301_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
SFM1)		S-Adenosylmethionine4 / 5
GLY A 170
PRO A 158
THR A 175
GLN A 160
1.10A20.48
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.
2Q7L_A_TESA155_1
(ANDROGEN RECEPTOR)		Testosterone5 / 12
LEU A  73
ASN A  74
LEU A  76
GLY A  77
VAL A 122
0.93A21.72
None
None
None
GOL  A 404 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q97_B_ADNB486_1
(SR PROTEIN KINASE)		Adenosine4 / 4
VAL B 339
ALA B 232
LEU B 228
PHE B 233
1.66A22.58
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.
3SI7_A_ACTA5_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		Acetic acid3 / 3
LYS B 317
SER B 309
GLN B 310
1.57A22.43
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.
4E1G_B_LNLB701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Alpha-Linolenic Acid5 / 12
PHE A 264
PHE A 241
GLY A 247
GLY A 254
LEU A 255
1.31A21.44
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.
5ZVG_A_SAMA401_1
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		S-Adenosylmethionine3 / 3
ASP B 297
ARG B 199
ASP B 302
0.97A20.87
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.
2QHF_A_NCAA493_0
(CHORISMATE SYNTHASE)		Nicotinamide5 / 11
ARG A 139
ALA B 118
THR B 115
ILE B 116
ALA A 118
1.39A21.74
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.
1DYR_A_TOPA407_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 11
ILE A 236
GLU A 234
ILE A 223
PHE A 233
ILE A 307
1.15A19.46
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.
4OJ4_A_DIFA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Diclofenac4 / 8
CYH B 293
LEU B 255
LEU B 252
ILE B 296
1.07A23.04
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.
3UM5_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Pyrimethamine5 / 10
ILE B 307
VAL B 237
PHE B 342
ILE B 328
ILE B 306
1.48A19.94
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.
5SVL_A_ACTA411_0
(P2X PURINOCEPTOR 3)		Acetic acid4 / 5
GLN B  19
VAL B   6
ASP B  17
ASN B   5
1.52A21.03
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.
2UXO_B_TACB1211_1
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR)		Tetracycline5 / 11
LEU A 346
LEU A 255
ILE A 270
VAL A 276
ILE A 296
1.43A20.50
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.
1RG7_A_MTXA161_2
(DIHYDROFOLATE
REDUCTASE)		Methotrexate3 / 3
ILE B 100
ILE B 108
THR B  84
0.90A17.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZGY_A_BRLA503_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone4 / 5
ILE B 100
ILE A  97
ILE B 116
LEU B  50
1.34A22.39
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.
5T7B_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
PRO A  66
VAL A  67
ALA A 161
PHE A 177
1.27A17.84
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.
1Y4L_B_SVRB301_1
(PHOSPHOLIPASE A2
HOMOLOG 2)		Suramin5 / 12
LEU B 251
GLY B 239
LEU B 246
GLY B 247
PRO B 344
1.72A16.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		Etodolac5 / 12
HIS A 338
LEU A 332
ILE A 236
ALA A 232
GLU A 234
1.59A21.42
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.
5UAN_B_REAB503_1
(RETINOIC ACID
RECEPTOR BETA)		Tretinoin5 / 12
LEU A 228
ILE A 236
PHE A 342
PHE A 303
LEU A 300
1.30A24.07
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.
3IV6_B_SAMB301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		S-Adenosylmethionine5 / 12
GLY A 248
THR A 341
PHE A 241
ASP A 283
ILE A 281
1.57A22.80
None
None
None
MG  A 403 (-2.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F78_A_BEZA1001_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		Benzoic Acid5 / 9
LEU B 300
LEU B 251
ILE B 236
PHE B 303
LEU B 228
1.64A21.20
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.
5ZGB_A_PQNA840_1
(PSAA
PSAJ)		Phylloquinone5 / 11
GLY A 239
ARG A 258
ILE A 281
LEU A 255
GLY A 254
1.53A18.23
7.63
None
MG  A 403 ( 4.6A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H2U_C_1N1C501_1
(PROTEIN-TYROSINE
KINASE 6)		Dasatinib5 / 12
LEU B   3
ILE B  28
THR B  31
LEU B  43
ASP B  40
1.34A20.77
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.
2EFJ_A_37TA502_1
(3,7-DIMETHYLXANTHINE
METHYLTRANSFERASE)		Theobromine5 / 12
PHE B 135
ILE B 144
ILE B  72
TYR B 325
TYR B 180
1.72A24.43
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.
5N0O_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
VAL B 319
PHE B 330
VAL B 318
PHE B 342
TYR B 231
1.42A21.56
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.
1MRG_A_ADNA300_1
(ALPHA-MOMORCHARIN)		Adenosine5 / 9
ILE B 307
PHE B 342
TYR B 194
ILE B 306
GLU B 305
1.74A22.69
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.
1P7R_A_NCTA440_1
(CYTOCHROME P450-CAM)		Nicotine4 / 7
VAL A 237
VAL A 295
ASP A 297
ILE A 296
1.42A23.06
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.
2O4L_A_TPVA403_1
(PROTEASE)		Tipranavir5 / 12
ALA A 109
ASP A 107
VAL A 122
PRO A 119
ILE A 116
1.37A13.82
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.
3IV6_C_SAMC301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		S-Adenosylmethionine5 / 12
GLY A 247
SER A 242
ASP A 283
ILE A 281
LEU A 249
1.34A22.80
None
None
MG  A 403 (-2.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TQ8_A_TOPA2001_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 9
LEU A 120
SER A  98
ILE A  97
ILE B 108
THR B 115
1.49A16.44
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.
1KQB_A_BEZA524_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		Benzoic Acid4 / 6
SER B 198
THR B 196
PHE B 195
GLU B  69
1.48A20.66
GOL  B 402 (-4.8A)
None
None
GOL  B 402 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QQD_A_AG2A671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		Agmatine4 / 7
ASP B 297
LEU B 298
ILE B 253
ARG B 199
1.32A10.23
15.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q83_A_ADNA1_1
(YTAA PROTEIN)		Adenosine4 / 7
ILE A 328
PRO A 158
LEU A  76
ILE A  72
1.33A25.24
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.
5XIQ_D_HFGD1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		Halofuginone5 / 12
LEU B 312
PHE B 342
GLU B 234
PHE B 303
GLY B 239
1.75A22.46
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.
2GJ5_A_VD3A163_1
(BETA-LACTOGLOBULIN)		Cholecalciferol5 / 12
VAL B 319
VAL B 321
ILE B 306
ILE B 307
ALA B 232
1.24A17.20
None
GOL  B 406 ( 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.
2WD9_A_IBPA1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		Ibuprofen4 / 7
ILE A 281
GLY A 254
GLY A 239
ARG A 258
1.01A26.22
None
None
None
MG  A 403 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABL_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
GLN A 197
PHE A 204
LEU A 215
PHE A 214
1.72A23.35
9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FSL_A_NIOA145_1
(LEGHEMOGLOBIN A)		Niacin5 / 8
PHE A 303
ILE A 306
PHE A 330
HIS A 250
LEU A 251
1.65A18.71
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.
3K13_A_THHA642_1
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		Levomefolic acid3 / 3
ASN A  74
ASP A 273
ARG A 127
1.48A22.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NNR_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP2)		Tacrolimus5 / 12
TYR A 226
ASP A 213
VAL A 304
ARG A 199
PHE A 222
1.65A18.26
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.
5KC0_A_RBFA303_2
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin3 / 3
LYS A 277
LEU A 298
ILE A 328
0.83A20.43
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.
2NXE_A_SAMA302_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
THR A 115
ASP B  79
SER B  98
1.32A21.15
None
GOL  B 403 (-3.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L4F_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 8
THR A  48
THR A 106
VAL A  54
VAL A  85
1.03A23.16
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.
2Q8H_A_TF4A438_1
([PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 1)		Dichloroacetic Acid4 / 6
LEU B  76
TYR B 325
ILE B 144
ILE B  72
1.41A23.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PKV_A_RBFA100_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		Riboflavin5 / 11
LEU A  58
MET A 105
THR A 106
ILE A 108
ILE A  97
1.14A15.19
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.
4W5O_A_IPHA906_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 5
PRO A  66
VAL A  67
ALA A 161
PHE A 177
1.26A17.96
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.
4PTJ_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
ASP A 297
LYS A 205
LEU A 215
1.63A17.34
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.
2D55_C_DVAC8_0
(ACTINOMYCIN D)		L-Valine3 / 3
PRO B  66
THR B 175
PRO B  68
1.28A11.36
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.
5N4I_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
VAL B 319
PHE B 330
VAL B 318
PHE B 342
TYR B 231
1.46A21.60
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.
6CBD_A_TRPA903_0
(PROTEIN ARGONAUTE-2)		L-Tryptophan4 / 6
ARG A 199
ILE A 169
GLN A 160
ASP A 297
1.37A17.96
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.
3EM4_A_DR7A100_1
(PROTEASE)		Atazanavir5 / 11
ALA B 109
ASP B 107
ILE B  80
LEU B 134
ILE B 116
1.15A14.63
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.
2X08_A_ASCA1253_0
(CYTOCHROME C
PEROXIDASE,
MITOCHONDRIAL)		Vitamin C5 / 9
ASP A 125
ILE A 144
PRO A  68
VAL A  67
ASN A  63
1.76A22.02
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.
2OZ7_A_CA4A1_1
(ANDROGEN RECEPTOR)		Cyproterone acetate5 / 12
LEU A  73
ASN A  74
LEU A  76
GLY A  77
VAL A 122
1.03A20.86
None
None
None
GOL  A 404 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z90_F_4LEF401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		Isoflurane5 / 8
THR B 326
THR B 193
THR B 196
LEU B 298
THR B 275
1.39A21.85
GOL  B 401 ( 3.9A)
None
None
None
GOL  B 401 (-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.
2W3A_B_TOPB1189_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 10
ALA B 218
PHE B 233
PHE B 222
ILE B 253
LEU B 300
1.40A19.03
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.
3S79_A_ASDA601_1
(CYTOCHROME P450 19A1)		4-Androstenedione5 / 12
ILE A 328
PHE A 330
ASP A 324
LEU A 251
LEU A 298
1.35A21.28
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.
3N61_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE)		Sapropterin4 / 7
PHE A  44
GLU A  57
VAL A  54
VAL A  32
1.65A22.42
GOL  A 401 (-4.4A)
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.
2F8G_B_017B401_2
(POL POLYPROTEIN)		Darunavir5 / 12
LEU B 252
ASP B 297
ASP B 302
ILE B 323
VAL B 295
1.22A14.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JB3_A_SAMA1102_1
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine3 / 3
ARG B 225
ASP B 301
ASP B 213
1.42A15.88
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.
5DZK_W_BEZW801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		Benzoic Acid4 / 5
PHE B 330
ILE B 296
ILE B 328
LEU B 251
1.47A21.18
19.68
0.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VC0_A_RITA602_2
(CYTOCHROME P450 3A4)		Ritonavir4 / 7
ILE A 307
LEU A 300
PHE A 214
THR A 196
1.26A21.89
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.
5N5D_B_SAMB303_0
(METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ALA A   7
VAL A   6
GLU A  45
ALA A  93
ALA A  55
1.45A20.39
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.
4F8Y_B_VK3B202_1
(NADPH QUINONE
OXIDOREDUCTASE)		Menadione4 / 6
ASN B 178
TYR B 325
TYR B 179
LEU B 190
1.61A21.49
ACY  B 407 (-3.6A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HKG_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1B)		Sirolimus5 / 12
PHE B 233
ILE B 306
VAL B 276
ILE B 328
PHE B 342
1.41A16.48
None
None
GOL  B 401 (-4.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0F_B_B49B9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		Sunitinib5 / 10
LEU B 255
CYH B 293
GLY B 248
LEU B 246
PHE B 241
1.72A22.86
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.
6QYA_D_FOZD401_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 12
LEU B 249
LEU B 215
PHE B 222
ILE B 253
ALA B 256
1.48A22.00
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.
3VNS_A_DVAA602_0
(NRPS ADENYLATION
PROTEIN CYTC1)		L-Valine4 / 7
PHE B 124
PHE B 135
GLY B 141
THR B 113
1.35A22.06
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.
2OIQ_A_STIA1001_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Imatinib4 / 5
LEU A 201
VAL A  67
LEU A  73
ARG A  62
1.44A20.47
ACY  A 406 (-3.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M5B_A_SAMA1001_0
(NS5
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B 254
GLY B 239
THR B 341
VAL B 339
ILE B 307
1.29A24.13
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.
3S43_A_478A401_1
(PROTEASE)		Amprenavir5 / 9
ALA B  82
ILE B  80
VAL B  78
GLY B 141
ILE B 100
1.29A14.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JX2_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
VAL A  54
VAL A  32
PHE A  44
GLU A  57
1.56A22.42
None
None
GOL  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IEP_A_STIA201_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		Imatinib4 / 6
VAL A  67
VAL A  78
ILE A  72
ARG A  62
1.47A22.82
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.
4Z4G_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 7
ARG A 199
ILE A 169
GLN A 160
ASP A 297
1.37A17.96
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.
3U9F_J_CLMJ221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 12
PHE B 214
LEU B 246
PHE B 264
CYH B 293
HIS B 250
1.60A17.63
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.
1IKE_A_HSMA190_1
(NITROPHORIN 4)		Histamine3 / 3
ASP A 301
LEU A 298
LEU A 300
1.40A19.47
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.
3U5K_B_08JB2_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		Midazolam4 / 7
PRO A  68
VAL A  78
LEU A  76
ILE A 144
1.34A16.67
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.
3JX5_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
VAL A  54
VAL A  32
PHE A  44
GLU A  57
1.60A22.42
None
None
GOL  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IK6_A_LURA201_1
(TRANSTHYRETIN)		Lumiracoxib4 / 4
LYS B  61
LEU B  58
ALA B  60
VAL B  10
1.65A16.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XO7_A_ASDA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		4-Androstenedione4 / 7
VAL A 321
ILE A 323
LEU A 300
LEU A 299
1.54A23.54
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.
4MWZ_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine5 / 12
VAL B 142
GLY B 157
ILE B 144
ILE B  72
LEU B  76
1.41A22.87
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.
3RHW_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE B  97
THR A 106
SER A  98
ILE B 108
ILE A 108
1.50A21.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AN2_A_EUIA1382_2
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		Cobimetinib4 / 4
ASN A  30
SER A   2
LEU A   3
THR A  48
1.55A22.34
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.
2L8M_A_CAMA415_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor5 / 9
THR A  84
VAL A  78
ASP A 125
ILE A 144
VAL A 142
1.71A23.16
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.
5KGP_A_GCSA407_1
(PREDICTED
ACETYLTRANSFERASE)		Glucosamine4 / 8
GLU A  69
PRO A  68
GLY A 157
PRO A 158
1.66A23.76
GOL  A 405 (-4.6A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7C_A_HLTA4005_1
(SERUM ALBUMIN)		Halothane4 / 5
LEU B 120
ILE B  80
ILE B 100
ALA B 109
0.86A20.50
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.
5YKE_B_GBMB2001_1
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8 ISOFORM X2)		Glyburide5 / 11
TYR B 238
ILE B 236
PHE B 303
LEU B 300
LEU B 215
1.69A12.64
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.
5ECO_A_LEUA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		L-Leucine4 / 6
ALA B 232
THR B 341
VAL B 339
HIS B 235
1.59A22.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QZT_C_RTLC201_0
(RETINOL-BINDING
PROTEIN 2)		Vitamin A5 / 12
PHE A 222
ILE A 253
SER A 208
LEU A 300
LEU A 228
1.75A15.09
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.
3WZD_A_LEVA1201_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Lenvatinib4 / 5
LYS A  90
ILE A  72
VAL A  67
LEU A 163
1.62A21.39
GOL  A 405 (-2.9A)
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.
2Q83_B_ADNB2_1
(YTAA PROTEIN)		Adenosine4 / 6
ILE A  97
PRO A 119
LEU B 120
ILE A 116
1.69A25.24
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.
1HSH_A_MK1A401_2
(HIV-II PROTEASE)		Indinavir5 / 9
ALA B  82
ILE B  80
VAL B  78
GLY B 141
ILE B 100
1.31A15.03
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.
6DH0_A_017A101_0
(PROTEASE)		Darunavir6 / 12
LEU B 143
ALA B  82
VAL B 122
ILE B  80
ILE B  86
VAL B 142
1.71A14.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TWJ_B_SAMB201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		S-Adenosylmethionine5 / 10
LEU A 249
ILE A 253
LEU A 255
LEU A 252
VAL A 295
1.33A20.82
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.
2FB2_A_SAMA501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		S-Adenosylmethionine4 / 8
THR A 322
GLU A 192
THR A 193
SER A 155
1.51A20.60
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.
3RFM_A_CFFA330_1
(ADENOSINE RECEPTOR
A2A)		Caffeine4 / 7
VAL B 276
PHE B 330
LEU B 298
ILE B 323
1.32A22.56
GOL  B 401 (-4.6A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IGX_A_EPAA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		Icosapent5 / 12
PHE A 264
PHE A 241
GLY A 247
GLY A 254
LEU A 255
1.33A20.34
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.
2YY8_B_SAMB500_0
(UPF0106 PROTEIN
PH0461)		S-Adenosylmethionine5 / 11
LEU A 215
MET A 210
GLY A 254
VAL A 237
ILE A 212
1.68A20.11
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.
2QBO_A_CAMA442_0
(CYTOCHROME P450-CAM)		Camphor5 / 10
THR B  84
VAL B  78
VAL B 122
ASP B 125
ILE B 144
1.39A23.66
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.
4XTA_A_DIFA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Diclofenac4 / 9
CYH B 293
LEU B 255
LEU B 252
ILE B 296
1.06A23.04
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.
4TVT_A_ASCA301_0
(THAUMATIN-1)		Vitamin C3 / 3
THR B 145
ASN B 178
SER B 148
1.66A19.95
None
ACY  B 407 (-3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GSE_B_EAAB224_1
(GLUTATHIONE
TRANSFERASE)		Etacrynic acid5 / 12
GLY A 254
LEU A 249
LEU A 246
LEU A 266
PHE A 264
1.41A21.33
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.
3R6W_A_NFZA213_1
(FMN-DEPENDENT
NADH-AZOREDUCTASE 1)		Nitrofural5 / 10
GLY A 254
PHE A 222
VAL A 304
PHE A 233
PHE A 303
1.74A18.60
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.
2AVD_B_SAMB601_0
(CATECHOL-O-METHYLTRA
NSFERASE)		S-Adenosylmethionine5 / 12
VAL A  78
ALA A  81
ASP A  88
ALA A  95
ARG A  91
1.58A20.79
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.
3KPD_C_SAMC1000_1
(UNCHARACTERIZED
PROTEIN MJ0100)		S-Adenosylmethionine5 / 12
ILE A 306
ASP A 302
VAL A 321
ILE A 328
ILE A 296
1.39A16.57
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.
1ICR_A_NIOA604_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		Niacin4 / 5
SER B 198
THR B 196
PHE B 195
GLU B  69
1.58A19.14
GOL  B 402 (-4.8A)
None
None
GOL  B 402 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4E_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 7
ARG A 199
ILE A 169
GLN A 160
ASP A 297
1.43A17.96
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.
2KOT_A_ANWA99_0
(PROTEIN S100-A13)		Amlexanox4 / 7
VAL B 166
THR B 167
THR B 175
LYS B  65
1.57A14.76
None
GOL  B 402 (-3.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_C_CHDC150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid5 / 12
VAL A 156
LEU A 168
ILE A 169
GLN A 160
THR A 167
1.65A16.49
None
None
None
None
GOL  A 405 (-3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JEC_B_478B401_3
(HIV-1 PROTEASE)		Amprenavir3 / 3
ASP B  40
LEU B  43
VAL B  52
0.85A14.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MVM_B_PFLB510_1
(PROTON-GATED ION
CHANNEL)		Propofol4 / 6
ILE B 116
ALA B 118
LEU B 120
ILE A 116
1.41A21.09
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.
1ZZR_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
VAL A  54
VAL A  32
PHE A  44
GLU A  57
1.55A22.52
None
None
GOL  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WRL_F_TFPF211_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Trifluoperazine5 / 7
LEU A 251
PHE A 342
PHE A 233
LEU A 300
SER A 309
1.69A14.68
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.
5XXI_A_LSNA502_1
(CYTOCHROME P450 2C9)		Losartan4 / 6
PRO A  51
THR A  48
ASN A  30
LYS A  47
1.71A21.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9K_B_CAMB424_0
(CYTOCHROME P450)		Camphor5 / 9
TYR B 179
LEU B  73
LEU B  76
GLY B  77
THR B 121
1.73A20.50
None
None
None
GOL  B 403 (-4.0A)
GOL  B 403 (-4.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4URO_A_NOVA2000_1
(DNA GYRASE SUBUNIT B)		Novobiocin5 / 12
GLU A 114
ILE A 100
PRO A 112
ILE A  80
SER A  98
1.71A22.55
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.
3BJW_A_SVRA508_1
(PHOSPHOLIPASE A2)		Suramin4 / 5
VAL A 149
GLN A 153
PHE A 177
ARG A 136
1.66A14.92
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.
5VC3_A_DB8A601_2
(WEE1-LIKE PROTEIN
KINASE)		Bosutinib4 / 4
VAL A 149
LYS A 150
VAL A 187
ASN A 137
1.53A19.53
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.
3NLQ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 8
VAL A  54
VAL A  32
PHE A  44
GLU A  57
1.59A22.42
None
None
GOL  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MO4_A_NILA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		Nilotinib5 / 10
LEU A 249
VAL A 237
ILE A 223
PHE A 241
GLY A 247
1.75A22.27
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.
5UMW_F_RBFF201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)		Riboflavin4 / 7
LEU A 251
TYR A 194
GLU A 305
SER A 309
1.56A17.96
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.
5X6Y_A_SAMA901_0
(MRNA CAPPING ENZYME
P5)		S-Adenosylmethionine5 / 11
GLU B  69
SER B 198
LEU B  76
ASN B  74
ASN B  75
1.59A18.34
GOL  B 402 ( 4.8A)
GOL  B 402 (-4.8A)
None
None
GOL  B 401 (-3.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_A_CHDA200_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid4 / 5
PRO A 158
THR A 121
VAL A  78
GLY A  77
1.00A16.49
None
GOL  A 404 ( 4.7A)
None
GOL  A 404 (-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.
4HYT_A_OBNA1104_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		Ouabain5 / 12
GLN B 188
GLY B 141
ALA B 138
PHE B 135
LEU B 152
1.42A16.12
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.
1QHY_A_CLMA999_0
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE)		Chloramphenicol5 / 12
SER A 309
ILE A 236
PHE A 303
LEU A 332
GLN A 310
1.39A16.27
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.
6DJZ_B_GMJB301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Haloperidol5 / 12
TYR B 231
LEU B 312
ILE B 307
PHE B 330
VAL B 321
1.67A19.84
None
None
None
None
GOL  B 406 ( 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.
6A7P_B_9SCB601_1
(SERUM ALBUMIN)		Aripiprazole4 / 6
ASN B 278
CYH B 293
PHE B 269
SER B 274
1.55A20.50
None
None
None
GOL  B 401 (-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.
4ZO1_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA)		Liothyronine5 / 12
ILE B 253
ARG B 207
MET B 210
LEU B 298
PHE B 214
1.79A22.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PO0_A_NPSA601_1
(SERUM ALBUMIN)		Naproxen5 / 12
VAL B 295
ASN B 278
CYH B 293
PHE B 269
SER B 274
1.51A19.09
None
None
None
None
GOL  B 401 (-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.
4OBW_D_SAMD601_1
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		S-Adenosylmethionine3 / 3
ASN B  74
ASP B 273
ASP B 268
1.67A23.68
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.
4WG0_C_CHDC102_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		Cholic Acid4 / 7
LEU B 255
ASN B 200
LEU B 201
LEU B 266
1.14A3.05
None
GOL  B 402 (-4.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWI_C_115C4_1
(HMG-COA REDUCTASE)		Fluvastatin4 / 7
VAL B 166
SER B 162
ASP B 273
LYS B  71
1.53A19.66
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.
2V41_E_BEZE1222_0
(PEROXIREDOXIN 6.)		Benzoic Acid4 / 7
PRO B 154
VAL B 156
SER B 155
GLU B 192
1.57A20.55
None
ACY  B 407 ( 3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4D_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
ARG A 199
ILE A 169
GLN A 160
ASP A 297
1.43A17.96
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.
4PXM_B_ESTB2000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU A 215
GLU A 211
ARG A 199
ILE A 236
LEU A 228
1.70A23.48
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.
3R75_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		Benzoic Acid5 / 12
SER A 288
GLY A 287
THR A 286
ARG A 258
SER A 242
1.46A20.65
None
None
None
MG  A 403 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JFA_B_RALB600_1
(ESTROGEN RECEPTOR)		Raloxifene5 / 12
LEU B 266
LEU B 255
LEU B 251
GLY B 239
LEU B 246
1.63A23.24
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.
1T86_A_CAMA1422_0
(CYTOCHROME P450-CAM)		Camphor4 / 8
THR A  48
THR A 106
VAL A  54
VAL A  85
1.02A22.94
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.
3PGH_A_FLPA701_1
(CYCLOOXYGENASE-2)		Flurbiprofen5 / 12
VAL B  32
VAL B   6
LEU B   3
VAL B  11
GLY B  14
1.26A21.09
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.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		Simeprevir3 / 3
PHE B 123
TYR B 180
LEU B 120
1.20A20.05
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.
1DF7_A_MTXA501_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE B  80
LEU B  50
PRO B  51
VAL B  54
LEU B  58
1.06A18.10
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.
4K13_A_ETSA304_1
(CARBONIC ANHYDRASE 2)		Dorzolamide5 / 12
HIS B 235
VAL B 237
LEU B 300
LEU B 251
THR B 341
1.44A22.40
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		Lasofoxifene6 / 12
LEU A 201
LEU A 252
LEU A 298
ILE A 236
HIS A 235
LEU A 249
1.78A21.43
ACY  A 406 (-3.7A)
None
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E1G_B_LNLB701_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Alpha-Linolenic Acid4 / 7
VAL A  10
VAL A   6
LEU A   3
VAL A  54
1.40A21.44
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.
6JNH_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		Vitamin C4 / 7
GLY B 239
PHE B 241
SER B 289
SER B 288
1.28A19.09
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.
6CDU_G_EY4G502_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		Alfaxalone4 / 8
ILE B 306
ILE B 328
THR B 326
TYR B 325
1.13A21.45
None
None
GOL  B 401 ( 3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JH7_B_6K9B503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		Eribulin4 / 7
LEU A 163
GLU A 146
ILE A  86
VAL A  67
1.34A20.04
None
GOL  A 402 (-3.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T9W_A_NFNA6001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		Nafcillin3 / 3
SER A 288
GLY A 287
ARG A 258
1.38A16.79
None
None
MG  A 403 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7J_A_B49A1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		Sunitinib5 / 12
ILE B 281
LEU B 252
GLY B 254
LEU B 249
ASP B 283
1.46A23.40
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.
4RET_C_DGXC2005_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		Digoxin5 / 12
GLN A 188
GLY A 141
ALA A 138
PHE A 135
LEU A 152
1.41A16.12
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.
2EIJ_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
ARG B 199
LYS B 205
PHE B 259
LEU B 252
1.20A23.35
9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WY0_A_SAMA800_0
(SMALL RNA
2'-O-METHYLTRANSFERA
SE)		S-Adenosylmethionine5 / 12
GLY B 248
GLY B 247
ILE B 281
VAL B 295
ILE B 236
1.53A20.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KUO_A_RBFA500_1
(BLUE-LIGHT
PHOTORECEPTOR)		Riboflavin5 / 12
ASN B  46
ASN B  30
LEU B  50
ASN A  30
ASN A  46
1.77A16.16
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.
2YDO_A_ADNA400_1
(ADENOSINE RECEPTOR
A2A)		Adenosine5 / 12
LEU A  43
THR A  34
PHE A  56
GLU A  57
MET A   1
1.70A23.08
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.
2QE6_A_SAMA400_1
(UNCHARACTERIZED
PROTEIN TFU_2867)		S-Adenosylmethionine3 / 3
ASN B 164
ARG B  62
ASP B  17
1.57A20.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FAP_A_RAPA108_1
(FK506-BINDING
PROTEIN)		Sirolimus5 / 12
TYR A 231
GLU A 340
ILE A 236
ILE A 306
PHE A 233
1.48A15.48
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.
4F8Y_C_VK3C202_1
(NADPH QUINONE
OXIDOREDUCTASE)		Menadione4 / 7
TYR B 325
TYR B 179
LEU B 190
ASN B 178
1.53A21.49
None
None
None
ACY  B 407 (-3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LNX_A_T44A501_1
(THYROID HORMONE
RECEPTOR ALPHA)		Levothyroxine4 / 6
SER A   2
GLU A  57
VAL A  25
THR A  34
1.62A20.90
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.
3BJW_C_SVRC507_2
(PHOSPHOLIPASE A2)		Suramin4 / 6
VAL B 319
VAL B 318
GLN B 347
PHE B 303
1.51A14.92
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.
4P3R_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
ASP B 324
ARG B 207
THR B 275
1.46A17.34
None
None
GOL  B 401 (-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.
2ZTH_A_SAMA305_1
(CATECHOL
O-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
SER A 262
GLU A 265
ASP A 283
1.63A20.74
 MG  A 403 (-2.0A)
None
MG  A 403 (-2.9A)
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.
5AAC_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		Crizotinib5 / 10
VAL A  11
ALA A   7
GLY A  21
GLY A  18
ASP A  17
1.36A22.52
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.
3RR3_C_FLRC700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Flurbiprofen5 / 12
VAL B  32
VAL B   6
LEU B   3
VAL B  11
GLY B  14
1.35A22.12
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.
5KQR_A_SAMA301_0
(METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B 254
GLY B 239
THR B 341
VAL B 339
ILE B 307
1.32A22.04
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.
3KPB_D_SAMD1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		S-Adenosylmethionine5 / 10
ILE B 306
ASP B 302
VAL B 321
ILE B 328
ILE B 296
1.36A16.57
None
None
GOL  B 406 ( 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.
4URO_C_NOVC2000_1
(DNA GYRASE SUBUNIT B)		Novobiocin5 / 12
ILE A 100
PRO A 112
ALA A  82
ILE A  80
SER A  98
1.64A22.55
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.
2GLU_A_SAMA301_0
(YCGJ)		S-Adenosylmethionine5 / 12
GLY A 126
ASP A 125
THR A  84
ALA A  82
ARG A 136
1.57A20.32
GOL  A 402 (-3.8A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUD_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
SER A 262
GLU A 265
ASP A 283
1.61A20.53
 MG  A 403 (-2.0A)
None
MG  A 403 (-2.9A)
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.
4DF3_A_SAMA301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		S-Adenosylmethionine5 / 12
GLY A 130
ALA A  82
ASP A 125
ASP A 133
VAL A 132
1.32A22.93
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.
1RB3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 10
ALA A  93
LEU A  58
ILE A  80
ILE A  97
THR A  48
1.52A17.34
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.
4O8F_B_BRLB501_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone5 / 6
ILE B 144
PHE B 135
GLY B 126
ILE B 100
LEU B  73
1.60A23.75
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.
1HWI_B_115B1_2
(HMG-COA REDUCTASE)		Fluvastatin4 / 8
VAL B 166
SER B 162
ASP B 273
LYS B  71
1.65A19.66
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.
3GP0_A_NILA1_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		Nilotinib4 / 7
LYS B 290
VAL B 276
LEU B 266
ILE B 296
1.09A22.30
None
GOL  B 401 (-4.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_B_BEZB503_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		Benzoic Acid4 / 6
ALA B 161
ILE B  72
PRO B 158
GLU B  69
1.51A16.29
None
None
None
GOL  B 402 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_B_CGEB501_1
(CYTOCHROME P450 2B4)		Clopidogrel4 / 8
PHE B 342
ILE B 296
THR B 326
VAL B 276
0.99A21.16
None
None
GOL  B 401 ( 3.9A)
GOL  B 401 (-4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKT_B_017B200_2
(PROTEASE)		Darunavir5 / 9
ALA A  81
VAL A 102
ILE A  97
ALA A 109
ILE A 100
1.51A14.40
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.
3MJR_D_AC2D601_1
(DEOXYCYTIDINE KINASE)		Aciclovir4 / 8
GLU B 211
TYR B 238
ASP B 297
PHE B 204
1.65A22.57
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.
3G0F_A_B49A9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		Sunitinib5 / 11
LEU A 255
CYH A 293
GLY A 248
LEU A 246
PHE A 241
1.64A22.86
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.
5H5F_A_SAMA301_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
SFM1)		S-Adenosylmethionine5 / 12
LEU A 252
GLY A 239
ASP A 240
LEU A 201
ALA A 256
1.32A20.48
None
None
None
ACY  A 406 (-3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BU1_A_HSMA301_1
(LIPOCALIN)		Histamine4 / 7
SER B 208
TYR B 226
ILE B 253
ASP B 301
1.55A16.44
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.
3RR3_A_FLRA700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Flurbiprofen5 / 12
VAL B  32
VAL B   6
LEU B   3
VAL B  11
GLY B  14
1.35A22.12
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.
7DFR_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
MET A 105
THR A  99
ILE A 108
ILE A  97
THR B  49
1.52A17.34
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.
5M54_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
ASP B  17
ALA B  60
PHE B  56
THR B  34
GLY B  21
1.48A23.19
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.
3HII_A_PNTA901_0
(AMILORIDE-SENSITIVE
AMINE OXIDASE)		Pentamidine5 / 12
TYR B 194
ASP B 302
GLY B 157
SER B 155
TYR B 325
1.60A18.19
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.
2DYR_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
ARG B 199
LYS B 205
PHE B 259
LEU B 252
1.20A23.35
9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_A_PCFA1805_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate4 / 7
VAL A  85
PRO A  94
SER A  98
THR A  99
1.39A11.81
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.
2AA5_B_STRB302_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
LEU B  58
MET B   1
SER B   2
LEU B   3
THR B  99
1.56A20.26
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.
1CMC_A_SAMA105_0
(MET REPRESSOR)		S-Adenosylmethionine5 / 10
ALA B  60
PHE B  16
GLY B  14
GLU B  57
LEU B  58
1.77A14.44
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.
2XRH_A_NIOA200_1
(PROTEIN HP0721)		Niacin4 / 7
ILE B 169
THR B 175
ARG B 207
GLN B 197
1.37A18.88
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.
3BJW_G_SVRG506_1
(PHOSPHOLIPASE A2)		Suramin4 / 8
VAL A 315
VAL A 314
LYS A 317
LYS A 335
1.16A14.92
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.
3LK0_D_Z80D92_1
(PROTEIN S100-B)		Chlorpromazine3 / 3
HIS A  15
PHE A  44
PHE A  56
1.13A11.99
None
GOL  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C9K_A_CAMA424_0
(CYTOCHROME P450)		Camphor5 / 9
TYR B 179
LEU B  73
LEU B  76
GLY B  77
THR B 121
1.72A20.50
None
None
None
GOL  B 403 (-4.0A)
GOL  B 403 (-4.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EMU_B_SAMB301_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		S-Adenosylmethionine6 / 12
PRO B 344
ILE B 306
ILE B 236
THR B 341
ILE B 323
VAL B 276
1.53A20.84
None
None
None
None
None
GOL  B 401 (-4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FMO_E_ADNE351_1
(CAMP-DEPENDENT
PROTEIN KINASE)		Adenosine5 / 12
GLY A 157
VAL A  78
VAL A 142
ASN A  75
LEU A  76
1.33A21.34
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.
4M2V_A_BZ1A302_2
(CARBONIC ANHYDRASE 2)		Brinzolamide3 / 3
HIS A  96
VAL A  54
LEU A  58
1.07A22.59
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.
4I41_A_MIXA500_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		Mitoxantrone5 / 12
PHE B 195
ALA B 161
ASN B  75
LEU B  73
ASP B 324
1.30A20.98
None
None
GOL  B 401 (-3.2A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0M_C_KLNC1498_1
(CYTOCHROME P450 3A4)		Ketoconazole5 / 12
LEU B 300
LEU B 251
PHE B 233
ILE B 306
THR B 196
1.64A21.78
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.
2AZX_A_TRPA601_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		L-Tryptophan5 / 12
THR B 145
GLY B 126
GLY B 130
ILE B 144
PHE B 123
1.30A20.81
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.
2Q63_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ARG A 207
ASN A 164
THR A 175
1.43A12.30
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.
5DZK_4_BEZ4801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		Benzoic Acid4 / 5
LEU B 251
PHE B 330
ILE B 296
ILE B 328
1.52A0.72
21.18
19.68
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.
5EML_A_SAMA701_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		S-Adenosylmethionine5 / 12
PRO A  94
LEU A  58
PRO B  51
ASN A  46
CYH A 103
1.70A19.91
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		Bromocriptine5 / 12
SER A  98
ILE A 108
THR A  49
ALA A  55
GLU A  57
1.38A22.47
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.
4IG3_A_T27A601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Rilpivirine5 / 12
LEU B 190
VAL B 142
TYR B 180
PRO B 158
TYR B 325
1.67A21.57
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.
4Q15_B_HFGB803_0
(PROLINE--TRNA LIGASE)		Halofuginone5 / 12
LEU B 312
PHE B 342
GLU B 234
PHE B 303
GLY B 239
1.78A22.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_A_SAMA501_1
(MNMC2)		S-Adenosylmethionine4 / 6
GLU A  69
ASP A 297
ASN A 200
GLU A 203
1.74A21.65
GOL  A 405 (-4.6A)
None
GOL  A 405 ( 4.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CKJ_A_ADNA2014_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)		Adenosine5 / 10
LEU A 252
GLY A 254
GLY A 239
VAL A 276
LEU A 298
1.35A22.84
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.
4M51_A_BEZA501_0
(AMIDOHYDROLASE
FAMILY PROTEIN)		Benzoic Acid4 / 6
ILE B 108
ILE A  97
SER A  98
LEU A 120
1.19A23.06
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.
3IV6_A_SAMA301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		S-Adenosylmethionine5 / 12
GLY A 247
SER A 242
ASP A 283
ILE A 281
LEU A 249
1.31A22.80
None
None
MG  A 403 (-2.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ITA_D_AICD501_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACC)		Ampicillin3 / 3
PRO A 158
PHE A 177
ALA A 161
0.80A23.49
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.
4Z4E_A_IPHA906_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 5
PRO A  66
VAL A  67
ALA A 161
PHE A 177
1.25A17.96
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.
3JB2_A_SAMA1101_1
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine3 / 3
GLU A 211
ASP A 297
ASP A 302
1.10A15.88
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.
3A9E_B_REAB1_1
(RETINOIC ACID
RECEPTOR ALPHA)		Tretinoin5 / 11
PHE A 330
LEU A 298
ILE A 306
PHE A 342
VAL A 295
1.62A22.92
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.
5ZWR_B_9KLB402_0
(EST-Y29)		Dexketoprofen5 / 12
TYR B 279
SER B 294
PHE B 269
ILE B 270
LEU B 266
1.54A24.33
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.
1KQB_B_BEZB525_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		Benzoic Acid4 / 5
GLU B  69
SER B 198
THR B 196
PHE B 195
1.53A20.66
GOL  B 402 ( 4.8A)
GOL  B 402 (-4.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_A_NCAA192_0
(NICOTINAMIDASE)		Nicotinamide5 / 11
ASP B 283
PHE B 241
LEU B 249
LEU B 246
ILE B 281
1.63A22.75
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.
3FPJ_B_SAMB301_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine5 / 12
ILE B  86
ILE B 144
LEU B 163
VAL B  70
ARG B  62
1.62A19.79
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.
1FKB_A_RAPA108_1
(FK506 BINDING
PROTEIN)		Sirolimus5 / 12
TYR A 231
GLU A 340
ILE A 236
ILE A 306
PHE A 233
1.63A15.48
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.
3QLH_A_T27A555_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Rilpivirine5 / 12
PRO B  68
LEU B  73
TYR B 179
TYR B 180
PHE B 135
1.59A21.43
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.
3KPD_B_SAMB1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		S-Adenosylmethionine5 / 12
ILE A 306
ASP A 302
VAL A 321
ILE A 328
ILE A 296
1.34A16.57
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.
1ONI_A_BEZA501_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		Benzoic Acid4 / 7
PHE B 177
ALA B 161
ILE B  86
PRO B  68
1.29A16.29
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.
3ADS_A_IMNA2_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin5 / 12
SER A 208
LEU A 217
PHE A 214
LEU A 251
LEU A 299
1.59A23.75
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.
3VRM_A_VD3A502_1
(VITAMIN D(3)
25-HYDROXYLASE)		Cholecalciferol5 / 12
ILE B 253
LEU B 215
ALA B 256
ILE B 236
LEU B 249
1.47A23.30
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.
6CBZ_B_ESTB602_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU A 215
GLU A 211
ARG A 199
ILE A 236
LEU A 228
1.66A23.82
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.
3JB2_A_SAMA1102_1
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine3 / 3
ARG B 225
ASP B 301
ASP B 213
1.33A15.88
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.
5BW4_B_SAMB301_1
(16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
ASP B  92
GLU B  42
SER B 162
0.93A24.73
GOL  B 405 ( 4.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C5N_B_PXLB300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		Pyridoxal5 / 10
ASP B 107
ALA B 109
VAL B 102
VAL B 122
CYH B 117
1.66A22.22
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.
4ZJL_D_ERYD1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		Erythromycin5 / 12
SER B 198
SER B 294
PHE B 330
ASP B 273
ASN B  75
1.76A16.41
GOL  B 402 (-4.8A)
None
None
None
GOL  B 401 (-3.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y2T_B_8LXB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Lobeglitazone4 / 8
GLU B 171
SER B 208
PHE B 204
LEU B 215
1.46A25.06
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.
2YVL_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		S-Adenosylmethionine5 / 12
ILE A  27
ILE A  28
VAL A  11
ASP A  40
VAL A  39
1.32A23.71
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.
4MMD_A_29EA603_1
(TRANSPORTER)		Duloxetine5 / 10
TYR A  89
ASP A  88
PRO A  66
VAL A  67
ALA A 161
1.64A22.01
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.
5PBE_A_TYLA2001_1
(BROMODOMAIN ADJACENT
TO ZINC FINGER
DOMAIN PROTEIN 2B)		Acetaminophen4 / 6
PRO A 158
VAL A 142
ASN A  75
ILE A  72
1.53A19.84
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.
6B3A_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		S-Adenosylmethionine5 / 12
GLY B 126
GLY B 130
ASN B  83
ILE B 144
LEU B 143
1.42A23.05
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.
2BXE_A_1FLA2001_1
(SERUM ALBUMIN)		Diflunisal5 / 11
ASN B  75
TYR B 179
VAL B  78
GLY B  77
LEU B  73
1.45A20.50
GOL  B 401 (-3.2A)
None
None
GOL  B 403 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YZQ_A_SAMA6075_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN PH1780)		S-Adenosylmethionine5 / 12
ILE A 296
ARG A 199
ILE A 306
ILE A 323
PRO A 344
1.55A23.02
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.
1Z11_C_8MOC501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		Methoxsalen5 / 10
VAL A 295
ILE A 253
GLY A 254
ILE A 236
PHE A 303
1.31A23.30
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.
3A3Y_A_OBNA6000_1
(NA, K-ATPASE ALPHA
SUBUNIT)		Ouabain5 / 10
GLU B 234
GLY B 254
ALA B 256
PHE B 214
PHE B 222
1.67A15.81
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.
1ZZU_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
VAL A  54
VAL A  32
PHE A  44
GLU A  57
1.59A22.52
None
None
GOL  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZD1_A_T27A557_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Rilpivirine5 / 12
PRO B  68
LEU B  73
TYR B 179
TYR B 180
PHE B 135
1.74A21.57
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.
5BMV_C_VLBC507_2
(TUBULIN ALPHA-1B
CHAIN)		Vinblastine4 / 7
PRO A  51
VAL A  52
ASN A  53
ILE A  27
1.10A20.04
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.
4PTJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
MET A 105
THR A  99
ILE A 108
ILE A  97
THR B  49
1.41A17.34
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.
5IKR_A_ID8A601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Mefenamic acid5 / 12
VAL B  32
LEU B  43
VAL B  10
ALA B   7
LEU B   3
1.48A19.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU5_B_478B401_1
(PROTEASE)		Amprenavir5 / 12
LEU B 252
ASP B 297
ASP B 302
ILE B 323
VAL B 295
1.27A14.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_B_CHDB150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid5 / 11
VAL B 156
LEU B 168
ILE B 169
GLN B 160
THR B 167
1.76A16.49
ACY  B 407 ( 3.9A)
None
None
None
GOL  B 402 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J6P_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
ASP B 301
LEU B 249
PHE B 204
PRO B 206
LEU B 215
1.60A21.01
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.
1ETA_1_T441128_1
(TRANSTHYRETIN)		Levothyroxine4 / 5
LEU B 252
GLU B 211
ALA B 256
LEU B 255
1.71A16.34
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.
2V2G_A_BEZA1222_0
(PEROXIREDOXIN 6)		Benzoic Acid4 / 7
PRO B 154
VAL B 156
SER B 155
GLU B 192
1.58A20.55
None
ACY  B 407 ( 3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HW8_B_FK5B201_1
(FK506-BINDING
PROTEIN 1)		Tacrolimus5 / 11
VAL B 318
ILE B 328
ILE B 323
ILE B 296
PHE B 342
1.71A15.56
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.
3CYW_A_017A201_1
(HIV-1 PROTEASE)		Darunavir5 / 12
LEU B  58
ALA B  93
ASP B  92
PRO B  51
VAL B  54
1.25A14.21
None
None
GOL  B 405 ( 4.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OKB_A_198A1002_1
(ANDROGEN RECEPTOR)		Bicalutamide5 / 12
LEU B 228
LEU B 251
MET B 219
HIS B 250
THR B 341
1.73A21.33
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		Alectinib5 / 12
LEU B 201
ALA B 256
VAL B 295
TYR B 279
LEU B 266
1.29A21.94
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.
4Q1X_A_017A101_2
(ASPARTYL PROTEASE)		Darunavir5 / 12
LEU B  58
ALA B  93
ASP B  92
PRO B  51
VAL B  54
1.24A13.62
None
None
GOL  B 405 ( 4.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OHT_A_1N1A2000_1
(P38A)		Dasatinib5 / 12
ASP A 268
ARG A  91
TRP A  87
VAL A  70
ILE A  86
1.51A22.84
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.
4Z4C_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 5
PRO A  66
VAL A  67
ALA A 161
PHE A 177
1.22A17.96
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.
4A6N_B_T1CB392_1
(TETX2 PROTEIN)		Tigecycline5 / 11
PHE B 135
ASN B 137
GLY B 141
GLY B 126
GLU B 146
1.73A27.39
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.
4QZT_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 2)		Vitamin A3 / 3
PHE A 342
THR A 326
LEU A 298
0.80A15.09
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.
5M24_A_9CRA501_1
(RETINOIC ACID
RECEPTOR GAMMA)		Alitretinoin5 / 12
LEU B 251
ILE B 253
ARG B 199
PHE B 222
ILE B 307
1.39A23.14
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.
3UIV_H_308H1008_1
(SERUM ALBUMIN)		Amantadine4 / 6
LEU B 120
ILE B  80
ILE B 100
ALA B 109
0.87A20.50
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.
1RX2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A  93
LEU A  58
ILE A  80
ILE A  97
THR A  48
1.46A17.34
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.
5HW8_E_FK5E201_1
(FK506-BINDING
PROTEIN 1)		Tacrolimus5 / 11
PHE B 233
VAL B 304
ILE B 306
ILE B 296
PHE B 342
1.46A15.56
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.
1VQ1_A_SAMA301_1
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		S-Adenosylmethionine3 / 3
GLY A 126
ASP A 125
ASN A 178
1.10A26.18
GOL  A 402 (-3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AJQ_A_DB8A800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		Bosutinib5 / 12
LEU B 255
GLY B 254
GLY B 248
LEU B 246
SER B 262
1.21A22.02
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.
4AC9_C_DXCC1479_0
(MJ0495-LIKE PROTEIN)		Deoxycholic Acid4 / 5
THR B 275
ILE B 323
GLU B 327
PHE B 195
1.71A23.69
GOL  B 401 (-4.4A)
None
GOL  B 406 (-3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R3A_A_RBFA402_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		Riboflavin5 / 12
ALA B 109
GLN B 131
ALA B  81
ILE B  80
ASN B 137
1.57A21.36
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.
4W5Q_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
ARG A 199
ILE A 169
GLN A 160
ASP A 297
1.29A17.96
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.
3V3O_A_T1CA404_1
(TETX2 PROTEIN)		Tigecycline5 / 12
ASN B   9
HIS B  15
GLY B  14
ALA B  55
ASN B  46
1.47A23.63
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.
2PGR_A_DCFA501_2
(ADENOSINE DEAMINASE)		Pentostatin3 / 3
LEU B  73
LEU B 190
PHE B 123
0.81A23.11
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.
2W3M_A_FOLA1188_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
LEU A  76
GLN A 176
ILE A 144
ASN A 178
THR A 275
1.43A19.03
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.
4FZV_A_SAMA401_1
(PUTATIVE
METHYLTRANSFERASE
NSUN4)		S-Adenosylmethionine3 / 3
ASP B 297
ARG B 199
ASP B 302
1.04A21.43
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.
5HW8_F_FK5F201_1
(FK506-BINDING
PROTEIN 1)		Tacrolimus5 / 12
PHE B 233
VAL B 304
ILE B 306
ILE B 296
PHE B 342
1.39A15.56
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.
2X2I_A_QPSA1050_2
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		Acarbose4 / 6
VAL A   6
TRP A  59
TRP A  87
THR A  84
1.79A16.78
None
GOL  A 401 ( 4.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EKX_A_SAMA301_0
(NS5
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B 254
GLY B 239
THR B 341
VAL B 339
ILE B 307
1.37A22.72
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.
2RKG_B_AB1B501_1
(PROTEASE RETROPEPSIN)		Lopinavir5 / 12
ALA B  82
ILE B  80
VAL B  78
GLY B 141
ILE B 100
1.28A13.93
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.
4C5L_A_UEGA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		Pyridoxine5 / 11
ASP B 107
ALA B 109
VAL B 102
VAL B 122
CYH B 117
1.71A22.22
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.
5VOP_A_C2FA3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		Levomefolic acid3 / 3
ASP B 324
ASN B  75
ASP B 273
1.58A23.16
None
GOL  B 401 (-3.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AAA_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		Crizotinib5 / 9
VAL B  11
ALA B   7
GLY B  21
GLY B  18
ASP B  17
1.37A22.50
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.
3T3C_A_017A201_1
(HIV-1 PROTEASE)		Darunavir4 / 7
ASP A 324
ASP A 297
VAL A 276
ILE A 306
1.22A14.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4D_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 5
PRO A  66
VAL A  67
ALA A 161
PHE A 177
1.25A17.96
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.
4XTA_B_DIFB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Diclofenac4 / 8
CYH A 293
LEU A 255
LEU A 252
ILE A 296
1.05A23.04
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.
1BZF_A_TMQA170_1
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate5 / 12
HIS B 338
LEU B 312
LEU B 332
PHE B 233
LEU B 251
1.39A18.72
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.
5B3S_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
ARG B 199
LYS B 205
PHE B 259
LEU B 252
1.27A23.35
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.
3KPB_C_SAMC1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		S-Adenosylmethionine5 / 12
ILE B 306
ASP B 302
VAL B 321
ILE B 328
ILE B 296
1.34A16.57
None
None
GOL  B 406 ( 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.
3ELW_A_SAMA4633_0
(METHYLTRANSFERASE)		S-Adenosylmethionine6 / 12
GLY B 254
GLY B 239
THR B 341
LEU B 332
VAL B 339
ILE B 307
1.61A23.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U7S_A_017A201_2
(POL POLYPROTEIN)		Darunavir5 / 9
ASP B 273
ILE B  72
ILE B 169
PRO B  66
LEU B 163
1.66A14.49
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.
5N0S_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
VAL B 319
PHE B 330
VAL B 318
PHE B 342
TYR B 231
1.46A21.60
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.
4J7X_B_SASB804_1
(SEPIAPTERIN
REDUCTASE)		Sulfasalazine5 / 12
LEU A 201
PHE A 264
TYR A 279
GLY A 239
LEU A 249
1.57A23.75
ACY  A 406 (-3.7A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J26_B_ESTB600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
GLU A 211
LEU A 299
ARG A 199
ILE A 307
ILE A 306
1.65A19.14
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.
1XOS_A_VIAA1_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		Sildenafil5 / 12
PHE A 214
SER A 208
MET A 210
PHE A 233
ILE A 307
1.61A21.63
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.
2W9S_E_TOPE1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		Trimethoprim4 / 8
ILE B 100
LEU B  58
ILE B  80
THR B  84
1.16A18.73
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.
4ZBQ_A_DIFA602_1
(SERUM ALBUMIN)		Diclofenac4 / 8
LEU A   3
ASN A   9
ALA A   7
VAL A  11
1.42A21.25
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.
3HS6_B_EPAB1_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Icosapent6 / 12
PHE B 233
ILE B 236
TYR B 238
GLY B 254
ALA B 256
LEU B 300
1.77A21.79
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.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		Pyridoxine5 / 10
ASP B 107
ALA B 109
VAL B 102
VAL B 122
CYH B 117
1.65A22.22
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.
1RUK_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		Benzoic Acid4 / 8
TYR B 179
LEU B 143
GLY B 126
GLY B 147
1.21A19.10
18.60
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.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		Erlotinib6 / 12
ILE A 144
PHE A 123
PHE A 124
GLY A 141
ILE A  72
LEU A  73
1.48A22.07
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.
4ZGF_A_BEZA210_0
(UNCHARACTERIZED
PROTEIN)		Benzoic Acid4 / 4
VAL B 122
ALA B  82
ASN B  83
GLN B 131
1.29A18.26
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.
3SG9_B_KANB305_1
(APH(2'')-ID)		Kanamycin4 / 8
ASP A 240
SER A 242
HIS A 243
GLU A 261
1.58A22.69
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.
5MUR_E_PFLE406_1
(PROTON-GATED ION
CHANNEL)		Propofol5 / 10
TYR A 179
ILE A  72
THR A 193
ILE A 323
ILE A 328
1.38A21.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0Z_O_C41O1327_1
(RENIN)		Aliskiren5 / 12
ASP B 240
GLY B 247
GLN B 245
GLY B 239
ILE B 281
1.41A22.47
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.
5NWV_A_ACAA18_2
(SCRFP-TAG,GP41)		Aminocaproic Acid4 / 7
GLN B 245
LEU B 246
ASP B 283
ALA B 284
1.32A6.88
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.
1XF1_A_ACTA1107_0
(C5A PEPTIDASE)		Acetic acid4 / 5
GLY B 248
HIS B 235
ILE B 236
PHE B 330
1.42A18.79
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.
3RI5_A_IVMA349_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 13
ILE B  97
THR A 106
SER A  98
ILE B 108
ILE A 108
1.53A21.87
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.
1XWF_A_ADNA433_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU A 228
LEU A 298
LEU A 251
GLY A 254
PHE A 222
1.70A21.96
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.
1HK3_A_T44A3002_1
(SERUM ALBUMIN)		Levothyroxine4 / 8
GLN B 209
LEU B 300
LYS B 257
LEU B 228
1.44A20.50
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.
1UAY_B_ADNB1002_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		Adenosine5 / 10
GLY B 141
ALA B 138
LEU B 120
ASP B  79
VAL B  78
1.62A19.57
None
None
None
GOL  B 403 (-3.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJO_B_EAAB211_1
(GLUTATHIONE
S-TRANSFERASE P)		Etacrynic acid5 / 8
PHE B 123
VAL B  67
ILE B 100
VAL B 102
ASN B  83
1.57A21.28
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.
3TNE_B_RITB401_2
(SECRETED ASPARTIC
PROTEASE)		Ritonavir5 / 7
TYR B 194
VAL B 321
ILE B 306
THR B 196
THR B 275
1.56A23.19
None
GOL  B 406 ( 4.1A)
None
None
GOL  B 401 (-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.
2V0M_C_KLNC1499_1
(CYTOCHROME P450 3A4)		Ketoconazole5 / 7
PHE A 214
PHE A 241
SER A 262
LEU A 255
GLY A 254
1.71A21.78
None
None
MG  A 403 (-2.0A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J24_C_ESTC600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
GLU B 211
LEU B 299
ARG B 199
ILE B 328
ILE B 323
1.62A19.14
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.
3JW3_A_TOPA208_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 10
ALA A  93
LEU A  58
ILE A  80
ILE A  97
THR A  48
1.65A20.90
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.
4DC3_A_ADNA401_2
(ADENOSINE KINASE)		Adenosine4 / 4
LEU B 252
ILE B 281
GLY B 254
PHE B 264
1.55A23.61
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.
3EKX_B_1UNB201_2
(PROTEASE)		Nelfinavir6 / 11
ALA A  81
ASP A 125
VAL A  67
ILE A 144
VAL A  70
ILE A  86
1.80A13.90
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.
4MXO_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Bosutinib5 / 12
ALA A 161
GLU A 171
VAL A 173
ILE A 169
THR A 175
1.40A21.58
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.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Pyrimethamine5 / 12
LEU A 120
SER A  98
ILE A  97
ILE B 108
THR B 115
1.18A22.34
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.
3V8V_B_SAMB801_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)		S-Adenosylmethionine5 / 11
SER B  98
ASP B 107
VAL B 102
PRO B  94
LEU B  58
1.69A19.94
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.
1N13_L_AG2L7014_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 7
ASP B 297
LEU B 298
ILE B 253
ARG B 199
1.31A10.20
15.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MHT_D_SAMD328_0
(CYTOSINE-SPECIFIC
METHYLTRANSFERASE
HHAI)		S-Adenosylmethionine5 / 12
PHE A 330
LEU A 249
GLY A 248
ASP A 297
ILE A 328
1.47A23.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HS6_B_EPAB1_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Icosapent4 / 7
VAL B  10
VAL B   6
LEU B   3
SER B   2
0.94A21.79
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.
3BWY_A_SAMA301_1
(COMT PROTEIN)		S-Adenosylmethionine3 / 3
SER A 262
GLU A 265
ASP A 283
1.62A20.21
 MG  A 403 (-2.0A)
None
MG  A 403 (-2.9A)
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.
1EKJ_E_ACTE3005_0
(BETA-CARBONIC
ANHYDRASE)		Acetic acid4 / 7
CYH A 293
GLY A 247
GLY A 248
GLN A 245
1.45A20.54
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.
1LIN_A_TFPA155_1
(CALMODULIN)		Trifluoperazine4 / 7
GLU B 229
MET B 219
PHE B 303
MET B 210
1.66A19.11
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.
3B2R_A_VDNA1_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Vardenafil5 / 12
ILE B 307
LEU B 298
ILE B 296
VAL B 237
PHE B 233
1.44A22.17
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.
6CJK_B_ACTB302_0
(IMMUNOGLOBULIN FAB
HEAVY CHAIN)		Acetic acid3 / 3
TYR A 343
GLY A 248
THR A 341
1.34A20.32
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.
4ODR_A_FK5A201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP1A CHIMERA)		Tacrolimus5 / 12
LEU A 120
ILE A  97
ILE A 116
ILE A 108
PRO B 119
1.35A14.02
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.
3OLL_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 10
LEU B 251
LEU B 300
LEU B 228
HIS B 250
LEU B 249
1.70A19.14
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.
2F8D_A_BEZA1002_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		Benzoic Acid5 / 10
GLY B 254
LEU B 251
ILE B 236
PHE B 303
LEU B 228
1.46A21.20
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.
5ND7_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL A 122
ASP A  79
LEU A 152
ALA A 138
ARG A 139
1.37A20.62
None
GOL  A 404 (-2.5A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NP1_B_HSMB304_1
(NITROPHORIN 1)		Histamine3 / 3
ASP A 301
LEU A 298
LEU A 300
1.42A20.00
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.
2JN3_A_JN3A131_1
(FATTY ACID-BINDING
PROTEIN, LIVER)		Ursodeoxycholic acid5 / 12
ILE B 281
LEU B 246
CYH B 293
VAL B 295
LEU B 252
1.26A17.00
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.
2F7A_A_BEZA1003_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		Benzoic Acid5 / 9
LEU B 300
LEU B 251
ILE B 236
PHE B 303
LEU B 228
1.68A21.20
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.
5UHB_C_RFPC1201_2
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Rifampicin3 / 3
PHE B   8
ASP B  17
LEU B  58
1.01A14.64
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.
5D75_A_FK5A301_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP3)		Tacrolimus5 / 11
ASP A 297
LEU A 300
VAL A 304
ILE A 306
ILE A 323
1.55A17.08
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.
3B9L_A_AZZA1009_1
(SERUM ALBUMIN)		Zidovudine4 / 8
GLU A  69
SER A 198
GLN A 160
VAL A 173
1.06A20.50
GOL  A 405 (-4.6A)
GOL  A 405 (-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.
3N61_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE)		Sapropterin4 / 6
VAL A  54
VAL A  32
PHE A  44
GLU A  57
1.63A22.42
None
None
GOL  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
GLN B 197
PHE B 204
LEU B 215
PHE B 214
1.52A23.35
9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S8F_B_BEZB1503_0
(RAS-RELATED PROTEIN
RAB-9A)		Benzoic Acid4 / 6
VAL B  32
THR B  31
GLU B  45
LEU B  43
1.64A21.29
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.
4DRH_A_RAPA201_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKBP5)		Sirolimus5 / 12
PHE A 233
VAL A 304
ILE A 306
ILE A 296
PHE A 342
1.57A17.79
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.
4C5L_B_PXLB300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		Pyridoxal5 / 9
ASP B 107
ALA B 109
VAL B 102
VAL B 122
CYH B 117
1.68A22.22
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.
11GS_A_EAAA211_1
(GLUTATHIONE
S-TRANSFERASE)		Etacrynic acid4 / 7
PHE B 123
VAL B  78
ILE B 100
GLY B 141
1.44A21.28
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.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Progesterone6 / 12
LEU B 143
ALA B 138
PHE B 135
ILE B 144
ALA B  82
VAL B  78
1.77A21.55
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.
2WD9_B_IBPB1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		Ibuprofen5 / 8
LEU B 163
VAL B 173
GLY B 170
GLN B 160
THR B 167
1.41A26.22
None
None
None
None
GOL  B 402 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KPC_A_SAMA1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		S-Adenosylmethionine5 / 11
ILE A 306
ASP A 302
VAL A 321
ILE A 328
ILE A 296
1.35A18.58
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.
3ASN_P_CHDP1271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid4 / 7
ARG B 199
LYS B 205
PHE B 259
LEU B 252
1.25A23.35
9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_D_SAMD401_1
(MNMC2)		S-Adenosylmethionine4 / 5
GLU A  69
ASP A 297
ASN A 200
GLU A 203
1.71A21.65
GOL  A 405 (-4.6A)
None
GOL  A 405 ( 4.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MT1_A_AG2A7005_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 6
ASP B 297
LEU B 298
ILE B 253
ARG B 199
1.37A10.20
15.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUE_B_SUEB1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir3 / 3
PHE B 123
TYR B 180
LEU B 120
1.24A20.69
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.
4A97_I_ZPCI1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Eszopiclone4 / 6
ILE B  72
PHE B 123
TYR B 179
VAL B 149
1.51A20.44
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.
1ICV_C_NIOC708_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		Niacin4 / 5
SER B 198
THR B 196
PHE B 195
GLU B  69
1.60A19.14
GOL  B 402 (-4.8A)
None
None
GOL  B 402 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_D_SAMD300_0
(PUTATIVE RRNA
METHYLASE)		S-Adenosylmethionine5 / 12
ILE A 100
GLY A 101
LEU A 120
PRO A 119
THR A 113
1.54A21.02
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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		Atorvastatin4 / 8
VAL B 166
SER B 162
ASP B 273
LYS B  71
1.59A19.66
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.
1ICU_D_NIOD223_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		Niacin4 / 5
GLY A 247
SER A 288
THR A 286
PHE A 241
1.67A19.14
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.
2XP2_A_VGHA9000_1
(TYROSINE-PROTEIN
KINASE RECEPTOR)		Crizotinib5 / 9
VAL A  11
ALA A   7
GLY A  21
GLY A  18
ASP A  17
1.35A22.50
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.
2QX4_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Melatonin4 / 8
PHE A 264
ILE A 281
GLY A 248
GLY A 247
1.09A21.81
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.
5DSG_B_0HKB1201_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		Tiotropium3 / 3
ASP A 129
ASN A  83
PHE A 123
0.91A20.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4W5O_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 7
ARG A 199
ILE A 169
GLN A 160
ASP A 297
1.43A17.96
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.
2NNH_A_9CRA502_1
(CYTOCHROME P450 2C8)		Alitretinoin5 / 12
ILE A  28
SER A  26
ILE A  27
ASN A  30
VAL A  52
1.42A24.24
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.
2DU8_A_BEZA352_0
(D-AMINO-ACID OXIDASE)		Benzoic Acid4 / 6
LEU B  73
ILE B  86
ARG B 127
GLY B 126
1.31A22.56
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.
2OXT_B_SAMB300_1
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		S-Adenosylmethionine4 / 5
SER A 162
GLY A 165
HIS A  96
ASP A 273
1.36A21.60
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.
2GSS_A_EAAA0_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		Etacrynic acid4 / 8
PHE B 123
VAL B  78
ILE B 100
GLY B 141
1.41A21.01
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.
2J0D_A_ERYA1498_0
(CYTOCHROME P450 3A4)		Erythromycin5 / 12
SER A  98
ILE A 108
THR A  49
ALA A  55
GLU A  57
1.32A21.78
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.
4MK4_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid3 / 3
LEU A 251
ILE A 253
ARG A 199
0.83A20.98
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.
5V1T_A_SAMA605_0
(RADICAL SAM)		S-Adenosylmethionine5 / 12
VAL B 292
SER B 294
ASN B 278
VAL B 276
THR B 326
1.62A22.86
None
None
None
GOL  B 401 (-4.6A)
GOL  B 401 ( 3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QYA_B_FOZB401_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 12
LEU B 249
LEU B 215
PHE B 222
ILE B 253
ALA B 256
1.48A22.00
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.
6AG0_C_ACRC608_1
(ALPHA-AMYLASE)		Acarbose3 / 3
TYR B  89
ALA B  55
LEU B  58
1.05A22.16
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.
4OJB_A_198A1001_1
(ANDROGEN RECEPTOR)		Bicalutamide5 / 12
GLN A 245
LEU A 246
VAL A 292
HIS A 250
THR A 341
1.76A21.33
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.
2J2P_C_SC2C1289_1
(FICOLIN-2)		Acetylcysteine4 / 6
ARG A 258
SER A 242
LEU A 249
GLY A 247
1.55A19.78
 MG  A 403 ( 4.6A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 11
THR A 167
ALA A 161
PHE A 177
VAL A  78
ILE A  86
1.76A20.68
GOL  A 405 (-3.9A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UHC_C_RFPC1201_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Rifampicin5 / 12
LEU B  58
HIS B  96
PRO B 112
ASN B  83
ILE B 100
1.57A14.64
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.
5IK1_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 5
PHE B 264
GLY B 254
ASP B 283
ILE B 281
1.36A23.62
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.
4ZBR_A_NPSA602_1
(SERUM ALBUMIN)		Naproxen5 / 12
LEU A 190
PHE A 135
GLY A 141
LEU A  76
SER A 155
1.77A21.25
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.
1NBH_A_SAMA293_1
(GLYCINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
ARG A 207
ASP A 324
ASN A  74
1.01A21.20
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.
1T6Z_A_RBFA296_1
(RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE)		Riboflavin5 / 11
VAL A  52
VAL A  32
ASN A  30
GLU A  45
ILE A  28
1.58A21.68
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.
5OG9_B_TESB503_1
(-)		Testosterone5 / 8
ILE A 296
LEU A 251
VAL A 237
ILE A 307
LEU A 300
1.50A21.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IJD_B_C2FB314_0
(UNCHARACTERIZED
PROTEIN)		Levomefolic acid5 / 12
LEU A 228
VAL A 237
GLY A 254
ILE A 296
ILE A 306
1.38A19.84
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.
3NLR_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
VAL A  54
VAL A  32
PHE A  44
GLU A  57
1.60A22.42
None
None
GOL  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LNW_A_T3A502_1
(THYROID HORMONE
RECEPTOR ALPHA)		Liothyronine4 / 8
SER A   2
GLU A  57
VAL A  25
THR A  34
1.62A20.90
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.
1CBR_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE I)		Tretinoin5 / 12
LEU A 134
ALA A  82
ALA A  81
VAL A 122
LEU A  58
1.56A18.47
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.
3NLP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
VAL A  54
VAL A  32
PHE A  44
GLU A  57
1.60A22.42
None
None
GOL  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_B_QPSB601_2
(-)		Acarbose5 / 12
LEU A 298
GLU A 203
ARG A 207
GLN A 160
PRO A 158
1.43A21.59
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.
5UHC_C_RFPC1201_2
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Rifampicin3 / 3
PHE B   8
ASP B  17
LEU B  58
1.03A14.64
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.
3FW3_A_ETSA302_1
(CARBONIC ANHYDRASE 4)		Dorzolamide5 / 12
ASN A  75
VAL A 321
ILE A 306
LEU A 298
THR A 196
1.51A23.56
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.
4L4A_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 8
THR A  48
THR A 106
VAL A  54
VAL A  85
1.00A23.16
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.
5X19_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
ARG B 199
LYS B 205
PHE B 259
LEU B 252
1.21A23.35
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.
3JX6_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
VAL A  54
VAL A  32
PHE A  44
GLU A  57
1.66A22.42
None
None
GOL  A 401 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		Erlotinib6 / 12
ILE A 144
PHE A 123
PHE A 124
GLY A 141
ILE A  72
LEU A  73
1.49A22.07
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.
5XIW_B_LOCB504_2
(TUBULIN BETA CHAIN)		Colchicine6 / 12
ALA A 138
ALA A 109
ILE A  80
LYS A 111
ALA A  82
ILE A 116
1.40A20.83
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.
3KM6_A_EAAA222_1
(GLUTATHIONE
S-TRANSFERASE P)		Etacrynic acid5 / 10
PHE B 124
VAL B 132
GLY B 130
VAL B 142
GLY B 126
1.47A21.28
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.
4ID5_A_T27A601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Rilpivirine5 / 12
LEU B 190
VAL B 142
TYR B 180
PRO B 158
TYR B 325
1.64A21.57
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.
4NKV_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Abiraterone6 / 12
LEU B 143
ALA B 138
PHE B 135
ILE B 144
ALA B  82
VAL B  78
1.75A21.55
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.
3AY0_B_ADNB402_1
(UNCHARACTERIZED
PROTEIN MJ0883)		Adenosine5 / 10
TYR A 180
PHE A 177
GLY A 126
ASP A 125
VAL A  67
1.73A21.45
None
None
GOL  A 402 (-3.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HW8_C_FK5C201_1
(FK506-BINDING
PROTEIN 1)		Tacrolimus5 / 10
ASP A 125
VAL A  85
ILE A  86
LEU A  73
PHE A 123
1.76A15.56
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.
2QO4_A_CHDA130_0
(LIVER-BASIC FATTY
ACID BINDING PROTEIN)		Cholic Acid5 / 12
LEU A  73
ILE A  72
ALA A  95
MET A 272
ASP A 273
1.48A17.16
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.
5YKG_B_GBMB2001_1
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8 ISOFORM X2)		Glyburide5 / 11
TYR B 238
ILE B 236
PHE B 303
LEU B 300
LEU B 215
1.70A12.64
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.
4XV2_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib4 / 4
GLY B 130
VAL B 132
PHE B 177
ILE B 144
1.57A22.14
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.
3QXY_A_SAMA6734_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		S-Adenosylmethionine5 / 12
VAL A 237
GLY A 248
TYR A 343
LEU A 300
TYR A 231
1.57A20.26
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.
5IZJ_F_AZ1F2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAR-DAR-DAR)		Azelaic Acid5 / 7
GLY A 185
PHE A 124
GLY A 141
VAL A 187
LEU A 143
1.59A23.12
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.
3R24_A_SAMA302_1
(2'-O-METHYL
TRANSFERASE)		S-Adenosylmethionine3 / 3
TYR B 279
ASP B 273
ASP B 268
1.68A24.04
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.
2ZVA_A_1N1A513_1
(TYROSINE-PROTEIN
KINASE LYN)		Dasatinib5 / 12
ALA A 161
GLU A 171
VAL A 173
ILE A 169
THR A 175
1.26A22.37
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.
4YP2_B_NCAB302_0
(RIBOSOME-INACTIVATIN
G PROTEIN MOMORDIN I)		Nicotinamide5 / 9
ILE B 307
PHE B 342
TYR B 194
ILE B 306
GLU B 305
1.73A21.61
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.
5XIQ_A_HFGA1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		Halofuginone5 / 12
LEU B 312
PHE B 342
GLU B 234
PHE B 303
GLY B 239
1.76A22.46
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.
3UWL_B_FOZB316_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 12
LEU B 249
LEU B 215
PHE B 222
ILE B 253
ALA B 256
1.51A22.00
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.
5UHB_C_RFPC1201_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Rifampicin5 / 12
LEU B  58
HIS B  96
PRO B 112
ASN B  83
ILE B 100
1.54A14.64
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.
2AOH_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		Amphetamine4 / 5
LEU B  73
GLY B 165
ALA B  95
ILE B  86
1.25A14.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A93_B_8NUB3001_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		Risperidone5 / 12
TYR A 226
VAL A 339
PHE A 303
LEU A 300
VAL A 304
1.55A21.67
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.
1HXB_A_ROCA100_3
(HIV-1 PROTEASE)		Saquinavir6 / 12
ALA A  81
ASP A 125
VAL A  67
ILE A 144
VAL A  70
ILE A  86
1.72A12.57
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.
5X24_A_LSNA502_1
(CYTOCHROME P450 2C9)		Losartan5 / 12
ALA A  81
ASN A  63
VAL A  85
ASP A  88
THR A 167
1.53A21.59
None
None
None
None
GOL  A 405 (-3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_A_ACTA3001_0
(BETA-CARBONIC
ANHYDRASE)		Acetic acid4 / 8
CYH A 293
GLY A 247
GLY A 248
GLN A 245
1.37A20.54
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.
2DU8_B_BEZB1352_0
(D-AMINO-ACID OXIDASE)		Benzoic Acid4 / 6
LEU B  73
ILE B  86
ARG B 127
GLY B 126
1.33A22.56
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.
1CD2_A_FOLA307_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
GLU B 216
ILE B 212
ARG B 199
1.48A19.46
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.
4M2X_G_TMQG202_1
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate5 / 12
LEU A  50
PRO A  51
VAL A  54
ILE A  97
THR B  99
1.39A18.10
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.
5N0S_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
VAL B 319
PHE B 330
VAL B 318
PHE B 342
TYR B 231
1.47A21.60
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.
4LB0_B_ACTB401_0
(UNCHARACTERIZED
PROTEIN)		Acetic acid4 / 5
VAL B 237
LEU B 300
VAL B 304
PHE B 233
1.50A21.46
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.
1UAY_A_ADNA1001_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		Adenosine5 / 11
GLY B 141
ALA B 138
LEU B 120
ASP B  79
VAL B  78
1.53A19.57
None
None
None
GOL  B 403 (-3.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YW7_B_GBMB2001_1
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8 ISOFORM X2)		Glyburide5 / 11
TYR B 238
ILE B 236
PHE B 303
LEU B 300
LEU B 215
1.69A12.64
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.
3AG4_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		Cholic Acid5 / 12
GLN A 131
THR A  84
ARG A 136
PHE A 135
GLY A 141
1.65A21.40
19.94
13.94
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.
3ASO_P_CHDP1271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid4 / 7
ARG B 199
LYS B 205
PHE B 259
LEU B 252
1.25A23.35
9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DM6_A_IMNA1401_1
(NADP-DEPENDENT
LEUKOTRIENE B4
12-HYDROXYDEHYDROGEN
ASE)		Indomethacin5 / 10
TYR A 226
ILE A 223
ILE A 253
GLU A 234
TYR A 238
1.44A20.88
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.
4DX7_B_DM2B1104_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		Epirubicin4 / 8
SER B 309
GLN B 310
ILE B 296
VAL B 276
0.93A16.30
None
None
None
GOL  B 401 (-4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ECN_A_LEUA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		L-Leucine4 / 7
ALA A  81
THR A  84
VAL A  67
HIS A  96
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYR_B_SVRB401_3
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		Suramin5 / 12
TYR A  33
ILE A  27
PHE A  44
ASN A   9
VAL A  54
1.66A20.42
None
None
GOL  A 401 (-4.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XE5_A_OBNA1104_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		Ouabain4 / 6
PRO A 344
ILE A 306
VAL A 339
PHE A 233
1.50A15.89
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.
3UQB_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		Tacrolimus4 / 8
PHE B 233
ILE B 306
ILE B 328
PHE B 342
1.39A23.56
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.
2XF3_A_J01A500_1
(ORF12)		Clavulanate5 / 10
LEU B 201
LEU B 251
GLY B 254
ALA B 256
LYS B 257
1.79A21.66
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.
4I13_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
ASP B 324
ARG B 207
THR B 275
1.47A17.34
None
None
GOL  B 401 (-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.
5X23_A_LSNA502_2
(CYTOCHROME P450 2C9)		Losartan3 / 3
LEU B 152
VAL B 132
ASP B 133
0.53A21.59
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.
4FR0_A_SAMA401_0
(ARSENIC
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B  77
LEU B  73
ILE B  80
ASN B 140
VAL B 122
1.42A23.76
GOL  B 403 (-4.0A)
None
None
GOL  B 403 ( 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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		Creatine4 / 6
THR A  99
LEU A  58
GLU A  57
SER A 104
1.62A23.57
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.
6NJ9_K_SAMK500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		S-Adenosylmethionine3 / 3
THR A 275
GLU A 327
ASN A  75
1.35A19.59
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.
5N0W_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
VAL B 319
PHE B 330
VAL B 318
PHE B 342
TYR B 231
1.46A21.60
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.
5UVM_B_ADNB207_1
(HISTIDINE TRIAD
(HIT) PROTEIN)		Adenosine5 / 12
VAL B 142
ILE B 144
ILE B  72
VAL B  78
HIS B  96
1.21A20.27
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.
4Z2E_F_TR6F101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
SYMMETRIZED E-SITE
DNA)		Trovafloxacin4 / 5
GLY A 126
ARG A 127
GLY A 147
GLU A 146
1.67A22.05
22.60
GOL  A 402 (-3.8A)
None
GOL  A 402 (-3.3A)
GOL  A 402 (-3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CI6_A_NBOA606_1
(SERUM ALBUMIN)		Nabumetone5 / 12
ASN A  75
TYR A 179
VAL A  78
GLY A  77
LEU A  73
1.54A21.42
None
None
None
GOL  A 404 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OI8_A_ADNA2_1
(UNCHARACTERIZED
PROTEIN)		Adenosine4 / 6
ILE B 144
ASN B 178
LEU B 143
ASP B 125
1.33A18.57
None
ACY  B 407 (-3.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM0_A_CHDA151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid5 / 10
ILE B 307
VAL B 339
GLY B 230
TYR B 238
VAL B 237
1.45A16.49
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.
5B1B_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
GLN A 197
PHE A 204
LEU A 215
PHE A 214
1.68A23.35
9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KM2_A_TOPA202_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 12
ILE B  80
ILE A  97
LEU B  50
VAL B  54
LEU B  58
1.34A20.00
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.
4CD2_A_FOLA207_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE B 236
GLU B 234
ILE B 223
PHE B 233
LEU B 300
1.56A19.46
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.
5ADE_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE A  44
GLU A  57
VAL A  54
VAL A  32
1.70A22.42
GOL  A 401 (-4.4A)
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.
3NDT_A_ROCA101_2
(PROTEASE)		Saquinavir3 / 3
ARG B 207
VAL B 173
THR B 175
1.31A14.21
None