PDB ID: 2amq


Macromolecule:
3C-LIKE PROTEINASE


Source Organism:
SARSr-CoV


Gene names:
-


UniProt ID:
P0C6U8

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '2amq'

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.
5MLM_A_STRA401_1
(-)
Progesterone5 / 12
MET A 162
PHE A 159
VAL A  36
CYH A  38
PRO A  39
1.49A22.43
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.
2OAX_E_SNLE5001_1
(MINERALOCORTICOID
RECEPTOR)
Spironolactone5 / 12
LEU A 227
ASN A 231
ALA A 234
GLN A 273
LEU A 205
1.62A22.87
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.
4IAQ_A_2GMA2001_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 1B AND E.
COLI SOLUBLE
CYTOCHROME B562)
Dihydroergotamine4 / 6
ILE B 286
THR B 285
SER A 284
ASP B 295
1.36A21.09
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.
1ONI_B_BEZB504_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
Benzoic Acid4 / 7
LEU B 250
ILE B 249
ALA B 206
ILE B 200
1.13A20.32
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.
5VUZ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A20.55
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.
5QGU_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.95A20.66
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.
4UPN_A_H4BA760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.74A21.09
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.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)
Nabumetone4 / 7
ALA A 173
GLU A 166
LYS C   2
LEU C   4
1.53A17.29
None
PJE  C   5 (-3.7A)
02J  C   1 ( 3.1A)
PJE  C   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NBI_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)
S-Adenosylmethionine5 / 12
ILE B 286
GLY A 283
ALA A 211
TRP A 218
GLY A 278
1.33A22.74
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.
1TDR_A_MTXA170_2
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)
Methotrexate3 / 3
SER B  62
ILE B  43
THR B  26
0.97A18.42
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.
2Y00_B_Y00B601_1
(BETA-1 ADRENERGIC
RECEPTOR)
Dobutamine5 / 12
LEU B 141
VAL B 125
SER A 113
SER A  10
PHE A 305
1.58A21.41
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.
5AYF_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
S-Adenosylmethionine5 / 11
ILE B  43
GLU B  55
GLY B 179
ASN B  84
HIS B  41
1.46A20.25
None
None
None
None
PJE  D   5 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F93_B_SANB3004_1
(U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE)
Sulfanilamide4 / 8
ASN B 214
GLN B 299
GLY B   2
SER A 139
1.45A11.79
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.
4CKI_A_ADNA2022_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET)
Adenosine6 / 11
GLY B  15
GLY B  11
VAL B  13
VAL B 148
GLY B 120
SER B 121
1.57A22.00
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)
Sitagliptin5 / 12
GLY B 170
SER B 147
VAL B 148
TYR B 161
VAL B 114
1.71A18.61
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.
5OM7_A_DM2A501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)
Epirubicin5 / 11
GLN B 299
SER B   1
PHE A 140
GLU A 166
VAL A 114
1.74A21.20
7.99
None
None
None
PJE  C   5 (-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.
2VMY_B_GLYB502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)
Glycine4 / 8
TYR B 126
SER B 139
HIS B 163
SER B 144
1.52A19.47
None
None
PJE  D   5 (-3.7A)
PJE  D   5 (-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.
5EEW_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
L-Tryptophan4 / 8
SER A 144
GLY A 138
HIS A 172
ALA A 116
1.01A13.71
PJE  C   5 (-4.1A)
None
PJE  C   5 (-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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)
Fulvestrant5 / 12
TYR B  54
LEU B  87
LEU B  58
LEU D   4
HIS B  41
1.45A21.44
None
None
None
PJE  D   5 ( 4.1A)
PJE  D   5 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)
S-Adenosylmethionine5 / 12
ILE B 286
GLY A 283
ALA A 211
TRP A 218
GLY A 278
1.40A22.74
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.
5ADG_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A20.55
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.
5OWR_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)
Dasatinib4 / 8
ALA A 129
GLU A 240
ILE A 200
VAL A 157
1.34A20.31
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.
5X1B_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)
Cholic Acid4 / 5
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.26A21.81
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.
4M6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
Folic Acid5 / 12
ALA C   2
LEU A 167
PHE A 185
PHE A 181
THR A 190
1.46A12.00
02J  C   1 ( 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.
4MDA_A_RLTA403_1
(MARINER MOS1
TRANSPOSASE)
Raltegravir4 / 6
ASP A 153
ASN A 151
TYR A 101
ASP A 155
1.66A21.45
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.
4MXX_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
Bosutinib5 / 12
VAL B 125
VAL A  13
GLY A 124
LEU A 115
PHE A   8
1.49A24.63
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.
1OM5_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 6
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.73A21.00
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.
5EEV_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
L-Tryptophan4 / 8
SER A 144
GLY A 138
HIS A 172
ALA A 116
1.01A13.71
PJE  C   5 (-4.1A)
None
PJE  C   5 (-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.
4NJU_A_TPVA500_2
(PROTEASE)
Tipranavir5 / 10
LEU A 250
GLY A 109
ILE A 200
PRO A 293
ILE A 249
1.35A15.44
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.
3HCP_B_CHDB4_0
(FERROCHELATASE,
MITOCHONDRIAL)
Cholic Acid3 / 3
GLY A  11
PRO B   9
LEU A 115
0.78A20.31
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.
2V41_G_BEZG1222_0
(PEROXIREDOXIN 6.)
Benzoic Acid4 / 8
PRO A 108
GLU A 290
ALA A 129
PRO A 132
1.39A20.12
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.
4UCH_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A20.64
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.
3RIF_A_IVMA403_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)
Ivermectin5 / 12
ILE A 106
ILE A 136
GLY A 109
THR A 292
PHE A 294
1.53A23.86
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.
5QGW_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.88A20.66
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.
3OU7_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)
S-Adenosylmethionine5 / 12
LEU B 141
TYR B 126
GLY B 124
GLY A 302
HIS B 163
1.51A20.86
None
None
None
None
PJE  D   5 (-3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OAP_A_9CRA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
Alitretinoin6 / 12
ILE B 259
ALA B 267
PHE B 219
LEU B 220
ILE B 213
LEU B 250
1.73A21.25
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.
1DMY_B_AZMB900_1
(MURINE CARBONIC
ANHYDRASE V)
Acetazolamide5 / 12
VAL A 261
TYR A 209
VAL A 247
LEU A 202
THR A 201
1.53A21.80
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KR0_A_478A101_2
(PROTEASE E35D-APV)
Amprenavir5 / 9
LEU D   4
GLY B 174
ALA B 173
GLY B 138
VAL D   3
1.52A33.33
PJE  D   5 ( 4.1A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCN_B_MTLB806_0
(NITRIC OXIDE
SYNTHASE, BRAIN)
Mannitol4 / 7
SER B 113
GLN B 110
PHE B 112
ASP B 295
1.61A21.09
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.
3PGH_D_FLPD701_1
(CYCLOOXYGENASE-2)
Flurbiprofen5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.35A19.93
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.
5QGM_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.91A20.66
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.
4KLR_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)
Cholic Acid3 / 3
LEU A 253
PRO A 252
ARG A 298
1.18A19.90
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.
1C6Z_B_ROCB505_2
(PROTEIN (PROTEASE))
Saquinavir5 / 12
ILE B 106
GLY B 109
ILE B 200
THR B 135
ILE B 136
1.28A17.11
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.
5QHF_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.87A20.66
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.
4RP9_A_ASCA501_0
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)
Vitamin C5 / 12
THR A 175
TYR A 161
HIS A 163
ALA C   2
PHE A 185
1.56A22.41
None
None
PJE  C   5 (-3.6A)
02J  C   1 ( 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.
5Z12_B_9CRB501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
Alitretinoin5 / 12
ILE B 259
ALA B 267
LEU B 208
LEU B 220
LEU B 250
1.44A21.25
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.
1C6Y_B_MK1B524_1
(PROTEIN (PROTEASE))
Indinavir5 / 11
ILE B 106
GLY B 109
ILE B 200
THR B 135
ILE B 136
1.30A17.11
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.
4G5J_A_0WMA1102_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
Afatinib4 / 7
HIS B 172
ILE B 136
TYR B 161
HIS B 164
1.52A21.61
PJE  D   5 (-4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MO4_A_NILA601_1
(TYROSINE-PROTEIN
KINASE ABL1)
Nilotinib5 / 10
LEU B 167
VAL B 171
GLU B 290
PHE B 185
GLY B 195
1.63A20.24
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.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)
Gefitinib5 / 12
ALA B   7
LYS B   5
GLU B 290
GLY B 124
GLN A 299
1.33A20.29
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.
2ZLC_A_VDXA500_1
(VITAMIN D3 RECEPTOR)
Calcitriol5 / 12
LEU B  58
VAL B  42
HIS B  41
HIS B 164
LEU D   4
1.60A21.65
None
None
PJE  D   5 ( 4.9A)
None
PJE  D   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJQ_C_SAMC199_0
(METHIONINE REPRESSOR)
S-Adenosylmethionine5 / 10
LEU D   4
LEU B 167
PRO B 168
ALA B 173
GLY B 183
1.55A8.57
PJE  D   5 ( 4.1A)
None
02J  D   1 (-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.
3JAY_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)
S-Adenosylmethionine5 / 12
SER B 144
GLU B 166
ARG B 131
ILE B 136
GLU B 290
1.45A15.42
PJE  D   5 (-3.8A)
PJE  D   5 (-4.2A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MEG_A_T27A561_1
(P66 REVERSE
TRANSCRIPTASE)
Rilpivirine5 / 12
PRO B  39
LEU B  86
VAL B  36
PHE B 159
LEU B 177
1.74A18.43
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.
5D0Y_B_FOLB201_0
(CONSERVED
HYPOTHETICAL
MEMBRANE PROTEIN)
Folic Acid5 / 12
LEU A  30
ASN A 151
PHE A 150
VAL A  13
HIS A 164
1.76A20.06
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.
2HRE_D_CHDD702_0
(FERROCHELATASE)
Cholic Acid3 / 3
ARG B 105
GLY B 183
PRO B 184
1.04A20.05
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.
6BSI_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT)
Efavirenz5 / 10
LEU A  30
VAL A  91
VAL A  20
LEU A  32
TYR A  37
1.67A19.31
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)
Foscarnet4 / 7
PHE A 112
THR A 111
ASN A 151
ILE A 106
1.42A21.64
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.
1MJL_A_SAMA200_0
(METHIONINE REPRESSOR
PROTEIN METJ)
S-Adenosylmethionine5 / 11
ALA B 173
HIS B 164
PHE B 185
HIS B  41
LEU D   4
1.72A15.20
None
None
None
PJE  D   5 ( 4.9A)
PJE  D   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADI_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A20.55
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.
4PCL_B_SAMB301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)
S-Adenosylmethionine5 / 12
GLN A 127
GLY A 124
PHE A   8
ALA A 116
TYR A 118
1.57A22.15
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.
5DQF_A_LCRA612_1
(SERUM ALBUMIN)
Cetirizine5 / 9
LEU A 253
GLY A 251
LEU A 250
LEU A 202
ALA A 206
1.39A17.38
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.
5QH4_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.90A20.66
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.
1AZM_A_AZMA262_1
(CARBONIC ANHYDRASE I)
Acetazolamide4 / 8
PHE B 181
HIS B 163
HIS B 172
LEU D   4
1.16A22.01
None
PJE  D   5 (-3.7A)
PJE  D   5 (-4.3A)
PJE  D   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ETE_C_H3PC552_1
(GLUTAMATE
DEHYDROGENASE)
Hexachlorophene3 / 3
TYR B 126
TYR B 161
GLY B 138
0.45A19.73
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.
3LOQ_A_ACTA278_0
(UNIVERSAL STRESS
PROTEIN)
Acetic acid3 / 3
SER B 123
GLY A 302
SER B 139
0.98A21.20
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.
4RRZ_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
Lumiracoxib5 / 12
VAL B 125
LEU B 115
VAL B  13
GLY B  11
SER A  10
1.33A20.10
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.
1KIA_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)
S-Adenosylmethionine5 / 12
ILE B 286
GLY A 283
ALA A 211
TRP A 218
GLY A 278
1.41A22.74
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.
4X3U_B_SVRB102_1
(CHROMOBOX PROTEIN
HOMOLOG 7)
Suramin3 / 3
LYS B   1
ARG B 298
VAL B 297
1.56A11.84
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.
3RIA_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)
Ivermectin5 / 12
ILE A 136
GLY A 109
THR A 292
PHE A 294
ILE A 106
1.54A23.86
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.
5HRQ_I_IPHI101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)
Phenol4 / 6
HIS A 164
LEU C   4
CYH A  38
LEU A  27
1.54A8.71
6.45
None
PJE  C   5 ( 4.1A)
None
PJE  C   5 ( 4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DM8_A_REAA501_1
(RETINOIC ACID
RECEPTOR BETA)
Tretinoin5 / 11
CYH B 300
LEU B 208
ILE B 281
SER A 139
LEU B 287
1.53A18.53
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.
4RRX_A_LURA706_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
Lumiracoxib5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.41A20.10
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.
1ZVL_A_H4BA900_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.69A21.23
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.
5UO5_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A20.55
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.
5QH0_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.92A20.66
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.
2F8L_A_SAMA400_0
(HYPOTHETICAL PROTEIN
LMO1582)
S-Adenosylmethionine5 / 12
ALA B 255
GLY B 258
VAL B 261
ASP B 263
GLY B 251
1.41A19.73
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.
3UFR_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.72A21.09
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.
1XLX_A_CIOA101_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)
Cilomilast5 / 12
HIS B 164
MET B  82
LEU B  58
THR B  21
PHE B  66
1.69A22.19
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.
4EVR_A_BEZA401_0
(PUTATIVE ABC
TRANSPORTER SUBUNIT,
SUBSTRATE-BINDING
COMPONENT)
Benzoic Acid5 / 11
VAL B 125
PHE A 305
PHE A 150
SER A 113
PHE A   8
1.59A19.69
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.
1FM9_A_9CRA201_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
Alitretinoin5 / 12
ILE B 259
ALA B 267
LEU B 208
LEU B 220
LEU B 250
1.47A20.89
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.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)
Galantamine5 / 12
ASP B 153
GLY A 124
GLU A  14
SER A  10
PHE B 150
1.57A20.15
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.
6HU9_I_PCFI101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)
Colfosceril palmitate5 / 11
ASP B  92
VAL B  73
GLY B  71
SER B 121
VAL B  18
1.76A22.38
18.77
12.28
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.
4QOG_A_ML1A302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
Melatonin4 / 8
ILE A 136
PHE A 140
GLY A 149
ILE A 106
1.14A22.26
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.
1HZ4_A_BEZA784_0
(MALT REGULATORY
PROTEIN)
Benzoic Acid4 / 6
HIS A 246
LEU A 205
LEU A 250
PRO A 293
1.63A20.50
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.
5J5X_B_AZ1B2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAL-DAR-DAR-
DAR-DAR)
Azelaic Acid4 / 7
GLY B  29
GLY B 120
SER B 121
VAL B  20
1.07A20.79
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.
2Q0I_A_BEZA990_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)
Benzoic Acid4 / 8
ASP A 187
LEU C   4
HIS A 164
LEU A  27
1.47A22.42
None
PJE  C   5 ( 4.1A)
None
PJE  C   5 ( 4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9F_C_CLMC221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)
Chloramphenicol5 / 11
PHE A 140
CYH A 145
HIS A 163
THR A 135
PHE A 112
1.79A24.39
None
PJE  C   5 (-1.8A)
PJE  C   5 (-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.
5QGZ_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.88A20.66
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.
6JMJ_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)
Vitamin C4 / 5
GLY B 138
HIS B 163
SER B 147
SER B 144
1.44A20.90
None
PJE  D   5 (-3.7A)
None
PJE  D   5 (-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.
6AUY_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.74A20.55
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.
2JN3_A_JN3A130_1
(FATTY ACID-BINDING
PROTEIN, LIVER)
Ursodeoxycholic acid6 / 12
LEU B 253
ALA B 210
ASP B 295
HIS B 246
ILE B 249
LEU B 250
1.79A17.45
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.
5EF1_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
L-Tryptophan4 / 8
SER A 144
GLY A 138
HIS A 172
ALA A 116
1.01A13.71
PJE  C   5 (-4.1A)
None
PJE  C   5 (-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.
6AUU_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.78A21.09
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.
6AY6_A_VORA501_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)
Voriconazole5 / 9
TYR B 209
ALA B 266
THR B 225
LEU B 262
LEU B 242
1.58A18.87
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.
2OW9_A_HAEA502_1
(COLLAGENASE 3)
Acetohydroxamic Acid4 / 6
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.63A20.45
None
PJE  C   5 (-3.7A)
PJE  C   5 (-4.5A)
PJE  C   5 (-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.
1Q23_I_FUAI707_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)
Fusidic Acid5 / 11
THR A 111
PHE A   8
PHE A   3
VAL A 303
PHE A 305
1.67A24.39
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.
2JC9_A_ADNA1497_1
(CYTOSOLIC PURINE
5'-NUCLEOTIDASE)
Adenosine4 / 7
ASP A 289
ASN A 151
PHE A 112
GLN A 110
1.45A20.40
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.
5ODI_G_ACTG702_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)
Acetic acid3 / 3
GLY A 109
THR A 111
ASN A 203
0.85A20.00
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.
4TWP_A_AXIA601_1
(TYROSINE-PROTEIN
KINASE ABL1)
Axitinib5 / 12
LEU A  75
VAL A  91
LYS A  90
MET A  17
ASP A  33
1.51A20.67
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)
Quinidine5 / 11
GLY B 143
LEU B  27
PHE B 140
ALA B 116
SER B 147
1.32A20.95
PJE  D   5 (-2.8A)
PJE  D   5 ( 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.
5QH9_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.89A20.66
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.
4LU3_A_AZMA302_1
(CARBONIC ANHYDRASE
14)
Acetazolamide5 / 11
HIS B 246
VAL B 247
LEU B 262
LEU B 205
THR B 201
1.39A20.80
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.
5QHG_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.88A20.66
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.
2W3B_B_FOLB401_0
(DIHYDROFOLATE
REDUCTASE)
Folic Acid5 / 12
ALA C   2
LEU A 167
PHE A 185
PHE A 181
THR A 190
1.47A12.00
02J  C   1 ( 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.
1FK9_A_EFZA999_1
(HIV-1 RT, A-CHAIN)
Efavirenz5 / 10
LEU A  30
VAL A  91
VAL A  20
LEU A  32
TYR A  37
1.64A20.04
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.
4ACB_B_DXCB1473_0
(TRANSLATION
ELONGATION FACTOR
SELB)
Deoxycholic Acid4 / 8
ILE B 136
GLY B 138
GLN B 127
ARG B 298
1.08A19.18
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.
2WD9_B_IBPB1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)
Ibuprofen5 / 8
LEU A  89
VAL A  36
GLY A  29
GLN A  19
THR A  21
1.63A19.19
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.
4DU2_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT B7)
Dopamine4 / 7
ALA B 194
PHE B 185
ALA B 173
PRO B 132
0.98A22.27
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.
1C9S_P_TRPP81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)
L-Tryptophan5 / 11
GLY A 170
ALA C   2
THR A 169
GLY A 195
THR A 135
1.49A13.71
None
02J  C   1 ( 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.
4V20_A_ACTA1444_0
(CELLOBIOHYDROLASE)
Acetic acid4 / 5
GLY B 170
HIS B 172
GLY B 138
GLU B 166
0.99A22.97
None
PJE  D   5 (-4.3A)
None
PJE  D   5 (-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.
3NU3_B_478B401_2
(PROTEASE)
Amprenavir5 / 11
LEU A 250
GLY A 109
ILE A 200
PRO A 293
ILE A 249
1.33A17.29
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.
2ZZM_A_SAMA401_1
(UNCHARACTERIZED
PROTEIN MJ0883)
S-Adenosylmethionine3 / 3
ARG A  40
ASP A  48
ASN A  53
1.63A19.37
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.
5KPC_A_SAMA401_1
(PAVINE
N-METHYLTRANSFERASE)
S-Adenosylmethionine4 / 5
PHE B 112
SER B 113
ASN B 203
GLN B 110
1.45A22.52
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.
3QOW_A_SAMA417_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE)
S-Adenosylmethionine5 / 12
GLY A  11
GLU A  14
GLY B 124
VAL A 125
PHE A 305
1.47A19.91
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.
1SN0_C_T44C601_1
(TRANSTHYRETIN)
Levothyroxine5 / 9
LEU B 202
LEU B 250
LEU B 208
GLU B 288
ALA B 206
1.73A16.19
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.
4BKJ_B_STIB1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)
Imatinib5 / 12
ILE A 106
MET A 130
LEU A 167
ALA A 173
PHE A 185
1.38A22.40
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.
4R3A_A_RBFA402_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)
Riboflavin5 / 8
ASN A  28
LEU A  30
VAL A 114
LEU A 115
GLY A  15
1.63A21.25
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.
3NT1_A_NPSA5_1
(PROSTAGLANDIN-ENDOPE
ROXIDE SYNTHASE 2)
Naproxen5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.28A20.10
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.
1GTF_K_TRPK81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))
L-Tryptophan5 / 10
GLY A 195
THR A 135
GLY A 170
ALA C   2
THR A 169
1.44A13.71
None
None
None
02J  C   1 ( 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.
4E47_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
S-Adenosylmethionine5 / 11
ILE B  43
GLU B  55
GLY B 179
ASN B  84
HIS B  41
1.49A18.43
None
None
None
None
PJE  D   5 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S8P_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)
S-Adenosylmethionine3 / 3
HIS B 163
SER B 123
ASN B  28
1.70A20.45
PJE  D   5 (-3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I2W_B_CFXB2300_2
(BETA-LACTAMASE)
Cefoxitin3 / 3
PRO B 241
LEU B 242
THR B 292
0.97A22.16
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.
3HJ3_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)
Methotrexate5 / 12
VAL A  77
LEU A  27
PHE A  66
SER A  65
LEU A  58
1.55A20.99
None
PJE  C   5 ( 4.5A)
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.
4OGR_E_ADNE401_1
(CYCLIN-DEPENDENT
KINASE 9)
Adenosine4 / 7
ALA B 234
CYH B 265
ASN B 203
LEU B 205
1.21A20.82
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.
2QHF_A_NCAA493_0
(CHORISMATE SYNTHASE)
Nicotinamide5 / 11
THR B 257
ILE B 213
ALA B 206
ALA B 210
VAL B 212
1.35A20.24
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.
5QHC_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.94A20.66
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.
5VLM_A_CVIA301_1
(REGULATORY PROTEIN
TETR)
Gentian Violet4 / 8
GLY A 179
ARG A 188
GLN A 192
ASP A 187
1.27A21.52
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.
5OGC_B_TA1B601_1
(TUBULIN BETA CHAIN)
Paclitaxel5 / 12
GLU B  14
PHE A 150
THR A 111
PRO A   9
GLY B 124
1.62A20.64
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.
1DMY_A_AZMA400_1
(MURINE CARBONIC
ANHYDRASE V)
Acetazolamide5 / 11
VAL A 261
TYR A 209
LEU A 250
LEU A 202
THR A 201
1.54A21.80
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.
1E7B_B_HLTB4003_1
(SERUM ALBUMIN)
Halothane4 / 6
ASN B 133
GLY B 183
ALA B 173
LEU B 167
1.06A18.57
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.
5DXE_B_ESTB1000_1
(ESTROGEN RECEPTOR)
Estradiol5 / 10
LEU B 220
ALA B 267
GLU B 270
LEU B 271
LEU B 205
1.78A20.13
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)
Clotrimazole6 / 12
LEU A 205
LEU A 220
ILE A 259
ALA A 260
THR A 224
ALA A 267
1.40A21.62
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.
2Y01_B_Y00B601_1
(BETA-1 ADRENERGIC
RECEPTOR)
Dobutamine5 / 12
LEU B 141
VAL B 125
SER A 113
SER A  10
PHE A 305
1.60A21.41
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.
5F9Z_B_HFGB703_0
(AMINOACYL-TRNA
SYNTHETASE)
Halofuginone5 / 12
PHE B   8
SER B 113
PHE B   3
SER B   1
GLY A 138
1.65A20.54
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.
2W9H_A_TOPA1160_1
(DIHYDROFOLATE
REDUCTASE)
Trimethoprim5 / 10
LEU B 242
LEU B 205
VAL B 261
ILE B 249
THR B 225
1.56A20.52
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.
5M0O_A_EPAA502_1
(TERMINAL
OLEFIN-FORMING FATTY
ACID DECARBOXYLASE)
Icosapent5 / 10
LEU A 242
PRO A 241
ALA A 234
VAL A 204
PRO A 293
1.69A21.69
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.
1W76_B_GNTB1538_1
(ACETYLCHOLINESTERASE)
Galantamine5 / 10
ASP B 153
GLY A 124
GLU A  14
SER A  10
PHE B 150
1.55A20.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO4_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.74A20.55
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.
3BGD_B_PM6B302_1
(THIOPURINE
S-METHYLTRANSFERASE)
Mercaptopurine4 / 7
PHE B 230
LEU B 242
LEU B 250
LEU B 205
1.31A22.63
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.
6AV3_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A20.55
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.
4CAO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A21.09
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.
5UO7_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 8
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A20.55
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.
1HVY_D_D16D417_1
(THYMIDYLATE SYNTHASE)
Raltitrexed5 / 12
TRP A 207
LEU A 287
LEU A 220
MET A 264
ALA A 267
1.52A20.61
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.
3N23_C_OBNC1_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)
Ouabain5 / 11
GLN A 273
LEU A 205
VAL A 261
ALA A 260
PHE A 223
1.52A13.89
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.
5BTG_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
Levofloxacin4 / 7
ALA A 234
ASP A 197
THR A 111
GLU A 290
1.33A21.09
21.27
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.
4UCI_A_ADNA2414_1
(RNA-DIRECTED RNA
POLYMERASE L)
Adenosine4 / 6
PHE B 181
ARG B 105
TYR B 182
HIS B 134
1.73A20.36
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.
1S9P_A_DESA459_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)
Diethylstilbestrol5 / 12
LEU B 262
ALA B 267
LEU B 208
VAL B 212
LEU B 250
1.42A20.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZM9_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)
Aminocaproic Acid4 / 8
ALA A 116
TYR A 118
HIS A 163
GLY A 124
1.33A22.54
None
None
PJE  C   5 (-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.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
Erlotinib5 / 12
ILE A 152
SER A 158
PHE A   8
ASP A 153
ASP A 295
1.68A21.14
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.
4A84_A_DXCA1160_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)
Deoxycholic Acid5 / 12
VAL A 171
ILE A 136
TYR A 126
VAL A 114
SER A 144
1.61A18.91
None
None
None
None
PJE  C   5 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AV5_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A20.55
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.
1GSE_B_EAAB224_1
(GLUTATHIONE
TRANSFERASE)
Etacrynic acid5 / 12
GLY A  29
LEU A  30
LEU A  32
LEU A  75
ALA A  70
1.45A20.70
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.
1MX1_E_THAE5_1
(LIVER
CARBOXYLESTERASE I)
Tacrine5 / 12
GLY B  11
VAL B  13
VAL A 125
LEU B 115
PHE A 150
1.40A20.65
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.
4XLI_A_1N1A601_1
(NON-SPECIFIC
PROTEIN-TYROSINE
KINASE)
Dasatinib6 / 12
LEU A 250
VAL A 212
THR A 257
MET A 264
LEU A 208
ALA A 211
1.76A20.68
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.
5IGT_A_ERYA402_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)
Erythromycin5 / 12
ILE B 200
ALA B 193
ALA B 194
LEU B 167
GLY B 170
1.32A21.81
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.
5VLM_A_CVIA301_0
(REGULATORY PROTEIN
TETR)
Gentian Violet5 / 12
MET B  49
GLU B  55
LEU B  57
ILE B  43
CYH B  38
1.58A21.52
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.
1MJO_C_SAMC200_0
(METHIONINE REPRESSOR)
S-Adenosylmethionine5 / 12
HIS B 164
PHE B 185
GLY B 174
HIS B  41
LEU D   4
1.51A15.20
None
None
None
PJE  D   5 ( 4.9A)
PJE  D   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UH6_C_RFPC1201_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)
Rifampicin5 / 12
ASP A 187
HIS A  41
ARG A  60
ILE A  43
ARG A  40
1.67A13.49
None
PJE  C   5 (-4.5A)
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.
3U9H_A_NCAA1163_0
(TANKYRASE-2)
Nicotinamide4 / 8
HIS A 134
GLY A 183
ALA A 173
TYR A 182
1.37A22.19
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.
5EEZ_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
L-Tryptophan4 / 8
SER A 144
GLY A 138
HIS A 172
ALA A 116
1.01A13.71
PJE  C   5 (-4.1A)
None
PJE  C   5 (-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.
2BTE_A_LEUA1894_0
(AMINOACYL-TRNA
SYNTHETASE)
L-Leucine4 / 8
SER B 144
TYR B 161
HIS B 172
HIS B 163
1.31A15.67
PJE  D   5 (-3.8A)
None
PJE  D   5 (-4.3A)
PJE  D   5 (-3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y2T_A_8LXA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
Lobeglitazone5 / 12
LEU B 177
PHE B 140
GLY B 146
CYH B 145
LEU D   4
1.72A22.39
None
None
None
PJE  D   5 (-1.8A)
PJE  D   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VV0_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A20.55
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.
5ADF_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A20.55
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.
5UO3_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A20.55
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.
6CE2_B_SVRB202_2
(-)
Suramin5 / 12
LEU B  32
LEU B  30
GLY B  15
GLY B  11
LYS B 102
1.41A15.26
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.
3RIF_A_IVMA403_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)
Ivermectin5 / 12
ILE B 106
ILE B 136
GLY B 109
THR B 292
PHE B 294
1.66A23.86
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.
2BFM_A_TOPA1290_1
(PTERIDINE REDUCTASE
1)
Trimethoprim5 / 9
PHE A 230
LEU A 268
LEU A 250
LEU A 202
TYR A 209
1.75A23.74
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.
3PGH_A_FLPA701_1
(CYCLOOXYGENASE-2)
Flurbiprofen5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.33A19.93
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.
5ADB_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 6
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.76A21.09
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.
3K9F_H_LFXH0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)
Levofloxacin4 / 6
SER A 144
ARG B   4
GLY B   2
GLU A 290
1.59A21.24
20.57
PJE  C   5 (-4.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP6_B_SALB3008_1
(TRANSCRIPTIONAL
REGULATOR TCAR)
Salicylic acid4 / 7
HIS A 172
VAL A 171
VAL C   3
ALA C   2
1.42A18.63
PJE  C   5 (-4.5A)
None
02J  C   1 ( 4.6A)
02J  C   1 ( 3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YVL_C_SAMC604_0
(HYPOTHETICAL PROTEIN)
S-Adenosylmethionine6 / 12
ILE A 249
SER A 254
ALA A 211
VAL A 212
PHE A 291
VAL A 204
1.58A22.39
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.
4XI3_D_29SD601_1
(ESTROGEN RECEPTOR)
Bazedoxifene5 / 12
THR A  25
LEU A  57
LEU A  58
HIS A 164
LEU C   4
1.56A21.02
010  C   6 (-3.8A)
None
None
None
PJE  C   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QGV_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.88A20.66
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.
1E7C_A_HLTA4008_1
(SERUM ALBUMIN)
Halothane4 / 8
ALA B 173
LEU D   4
LEU B 167
ALA D   2
1.05A18.57
None
PJE  D   5 ( 4.1A)
None
02J  D   1 ( 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.
4DX7_A_DM2A1106_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)
Epirubicin5 / 11
LEU A 202
THR A 111
ALA A 129
ARG A 298
GLN A 127
1.62A15.03
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.
5IGP_A_ERYA402_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)
Erythromycin5 / 12
ILE B 200
ALA B 193
ALA B 194
LEU B 167
GLY B 170
1.31A21.81
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.
3MZE_A_CFXA364_2
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)
Cefoxitin3 / 3
SER A 147
SER A 144
HIS A 164
1.10A22.31
None
PJE  C   5 (-4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CMA_B_SAMB105_0
(PROTEIN (MET
REPRESSOR))
S-Adenosylmethionine5 / 11
HIS B  41
LEU D   4
HIS B 164
PHE B 185
GLY B 174
1.35A13.95
PJE  D   5 ( 4.9A)
PJE  D   5 ( 4.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AUU_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)
Mannitol4 / 8
SER B 113
GLN B 110
PHE B 112
ASP B 295
1.55A21.09
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.
5IKR_B_ID8B602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
Mefenamic acid5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.23A20.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ENH_A_FVXA602_1
(CHOLESTEROL
24-HYDROXYLASE)
Fluvoxamine5 / 12
LEU A 220
ILE A 259
ALA A 260
THR A 224
ALA A 267
1.29A21.62
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.
6CID_A_H4BA802_0
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A20.55
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.
1JTV_A_TESA500_1
(17
BETA-HYDROXYSTEROID
DEHYDROGENASE TYPE 1)
Testosterone4 / 8
VAL A 148
LEU A 177
SER A 158
VAL A 157
1.27A21.87
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.
4B3O_A_EFZA1557_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)
Efavirenz5 / 9
LEU A  86
VAL A  20
TYR A  37
GLY A  29
LEU A  87
1.69A19.17
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.
5QGL_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.96A20.66
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.
1Q23_E_FUAE706_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)
Fusidic Acid5 / 10
THR A 111
PHE A   8
PHE A   3
VAL A 303
PHE A 305
1.68A24.39
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.
4B53_B_ACTB1445_0
(IG GAMMA-4 CHAIN C
REGION)
Acetic acid3 / 3
GLU A  14
GLY A  15
SER A  10
1.37A14.74
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.
4V3Z_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.77A21.09
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.
6AV2_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A20.55
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.
3NS1_C_PM6C1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)
Mercaptopurine4 / 6
GLU B 270
PHE B 223
ALA B 267
ALA B 266
1.50A18.99
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.
4QZT_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 2)
Vitamin A5 / 12
MET A 264
ILE A 259
VAL A 297
LEU A 202
LEU A 250
1.65A19.51
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.
4QCK_A_ASDA404_1
(3-KETOSTEROID-9-ALPH
A-MONOOXYGENASE
OXYGENASE SUBUNIT)
4-Androstenedione5 / 12
HIS A 172
GLN B 299
ALA B 210
ASN B 214
GLY A 170
1.54A20.96
PJE  C   5 (-4.5A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BS8_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
Moxifloxacin4 / 7
ASP A 289
ARG A 131
GLY A 109
THR A 135
1.35A21.09
21.27
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.
5OG9_B_TESB502_1
(-)
Testosterone5 / 12
VAL B 125
LEU B 115
ILE B 152
ALA B   7
LEU A 115
1.60A23.16
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.
1K2S_B_H4BB2760_1
(NITRIC-OXIDE
SYNTHASE)
Sapropterin4 / 6
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.68A20.55
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.
5X19_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)
Cholic Acid4 / 6
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.24A21.81
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.
1SN5_C_T3C601_1
(TRANSTHYRETIN)
Liothyronine4 / 6
LEU B 202
ALA B 206
LEU B 205
VAL B 297
1.30A16.19
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.
6A5Y_D_9CRD501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
Alitretinoin6 / 12
ILE B 259
ALA B 267
PHE B 219
LEU B 220
ILE B 213
LEU B 250
1.69A20.89
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.
3X2Q_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.22A21.81
12.50
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.
3KO0_I_TFPI201_1
(PROTEIN S100-A4)
Trifluoperazine5 / 9
PHE A 305
GLY B 124
PRO A   9
GLY A 302
PHE A 150
1.69A16.27
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.
3N66_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE)
Mannitol4 / 8
SER B 113
GLN B 110
PHE B 112
ASP B 295
1.58A21.09
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.
3H0A_A_9RAA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
Bexarotene5 / 12
ALA A  70
GLN A  69
LEU A  67
ILE A  78
LEU A  89
1.38A21.41
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.
5VOP_B_C2FB3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)
Levomefolic acid5 / 12
LYS C   2
VAL A  68
LEU A  89
GLY A  29
SER A 147
1.50A2.68
02J  C   1 ( 3.1A)
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.
3U9F_L_CLML221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)
Chloramphenicol5 / 12
PHE A 230
CYH A 265
THR A 199
LEU A 205
VAL A 261
1.41A24.39
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.
5QH2_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.88A20.66
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.
3N8X_B_NIMB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
Nimesulide5 / 12
PHE B 150
ILE B 152
GLY B  11
SER A  10
LEU A 115
1.34A18.97
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.
5QH6_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.86A20.66
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.
4BJC_A_RPBA2162_1
(TANKYRASE-2)
Rucaparib4 / 8
HIS A 134
GLY A 183
ALA A 173
TYR A 182
1.41A22.19
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.
4QZU_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 2)
Vitamin A5 / 12
PHE B 181
ALA B 173
GLN B 192
THR B 190
LEU D   4
1.30A19.51
None
None
None
None
PJE  D   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJV_D_RITD500_2
(PROTEASE)
Ritonavir5 / 12
ILE B 106
GLY B 109
ILE B 200
THR B 135
ILE B 136
1.36A15.44
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.
2PYM_A_1UNA1001_3
(PROTEASE RETROPEPSIN)
Nelfinavir3 / 3
ASP A  56
ASN A  53
THR A  45
1.14A18.38
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.
4KYA_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
Folic Acid5 / 12
VAL B  13
PHE B 103
SER B 158
VAL B 148
THR B  98
1.63A20.86
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.
5VUN_A_MTLA805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)
Mannitol4 / 8
SER B 113
GLN B 110
PHE B 112
ASP B 295
1.60A21.09
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.
5JSE_A_1GNA608_1
(PHIAB6 TAILSPIKE)
Glucosamine3 / 3
THR A 304
SER B 123
TYR B 118
1.78A19.25
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.
4AG8_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)
Axitinib5 / 12
LEU B  67
VAL B  36
VAL B  18
LEU B  89
CYH B  38
1.46A23.21
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.
2Y00_A_Y00A601_1
(BETA-1 ADRENERGIC
RECEPTOR)
Dobutamine5 / 12
LEU B 141
VAL B 125
SER A 113
SER A  10
PHE A 305
1.57A21.41
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.
2V0G_A_LEUA1887_0
(AMINOACYL-TRNA
SYNTHETASE)
L-Leucine4 / 8
SER A 144
TYR A 161
HIS A 172
HIS A 163
1.42A15.67
PJE  C   5 (-4.1A)
None
PJE  C   5 (-4.5A)
PJE  C   5 (-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.
5ND7_B_TA1B601_2
(TUBULIN BETA-2B
CHAIN)
Paclitaxel3 / 3
THR B  35
PRO B  39
ARG B  40
1.25A20.64
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.
3TNE_A_RITA401_2
(SECRETED ASPARTIC
PROTEASE)
Ritonavir4 / 6
SER B 147
TYR B 118
THR B  26
THR B  25
1.46A23.92
None
None
None
010  D   6 (-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.
6NCS_A_ACTA303_0
(N-ACETYLNEURAMINIC
ACID (SIALIC ACID)
SYNTHETASE)
Acetic acid3 / 3
ILE B 200
THR B 201
PRO B 132
0.98A22.97
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.
5AGK_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.78A21.09
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.
6B89_A_NOVA403_2
(LIPOPOLYSACCHARIDE
EXPORT SYSTEM
ATP-BINDING PROTEIN
LPTB)
Novobiocin4 / 6
PHE A   3
ARG A   4
LEU A 282
ALA A 210
1.33A22.81
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.
3IA4_C_MTXC164_1
(DIHYDROFOLATE
REDUCTASE)
Methotrexate5 / 12
ALA A 173
LEU C   4
GLN A 189
LEU A  27
TYR A 161
1.73A20.00
None
PJE  C   5 ( 4.1A)
None
PJE  C   5 ( 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.
4WG0_C_CHDC102_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)
Cholic Acid4 / 7
LEU A 242
ASN A 228
LEU A 227
LEU A 262
1.18A3.99
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)
Quinine5 / 9
PHE B 150
GLU B  14
VAL A 125
VAL B 125
LEU A 115
1.72A20.95
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.
4JBT_B_ASDB502_1
(CYTOCHROME P450
MONOOXYGENASE)
4-Androstenedione5 / 11
MET A 264
PHE A 219
ALA A 211
ALA A 210
LEU A 250
1.51A20.24
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.
1Q23_B_FUAB703_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)
Fusidic Acid5 / 12
THR A 111
PHE A   8
PHE A   3
VAL A 303
PHE A 305
1.61A24.39
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.
5QH1_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.87A20.66
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.
1RS6_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)
Mannitol4 / 8
SER B 113
GLN B 110
PHE B 112
ASP B 295
1.63A21.00
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.
4ZBR_A_NPSA603_1
(SERUM ALBUMIN)
Naproxen6 / 10
ALA B 173
ASP B 187
LEU D   4
LEU B 167
ALA D   2
ALA B 193
1.60A17.72
None
None
PJE  D   5 ( 4.1A)
None
02J  D   1 ( 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.
3U52_A_CUA515_0
(PHENOL HYDROXYLASE
COMPONENT PHL
PHENOL HYDROXYLASE
COMPONENT PHN)
Copper3 / 3
HIS A 172
HIS A 163
ILE A 136
1.26A19.69
21.33
PJE  C   5 (-4.5A)
PJE  C   5 (-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.
3W1W_A_CHDA1503_0
(FERROCHELATASE,
MITOCHONDRIAL)
Cholic Acid4 / 8
MET B 264
ILE B 281
LEU B 282
GLY B 215
1.29A19.95
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.
5HFJ_A_SAMA301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))
S-Adenosylmethionine5 / 12
ALA A 194
PRO A 184
PHE A 185
GLY A 174
TYR A 182
1.72A21.15
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.
5QH7_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.88A20.66
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
Meclofenamic acid5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.31A20.56
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.
1DMA_A_NCAA700_0
(EXOTOXIN A)
Nicotinamide4 / 7
HIS B 164
GLY B 174
LEU B 167
ALA B 173
1.32A20.52
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.
4K13_A_ETSA304_1
(CARBONIC ANHYDRASE 2)
Dorzolamide5 / 12
HIS B 246
VAL B 247
LEU B 262
LEU B 205
THR B 201
1.49A24.04
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.
5OY0_2_PQN2843_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)
Phylloquinone5 / 12
ILE B 152
SER B 144
ARG A   4
ILE B 136
ALA B 116
1.76A17.46
None
PJE  D   5 (-3.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LTW_A_STRA301_1
(ANCESTRAL STEROID
RECEPTOR 2)
Progesterone5 / 12
LEU A 227
ASN A 231
ALA A 234
GLN A 273
LEU A 205
1.64A20.67
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.
4HYF_B_NCAB1201_0
(TANKYRASE-2)
Nicotinamide4 / 8
HIS A 134
GLY A 183
ALA A 173
TYR A 182
1.45A22.19
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.
4R3A_B_RBFB402_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)
Riboflavin5 / 12
ARG B 217
ILE B 213
ILE B 281
LEU B 282
GLY B   2
1.35A21.25
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.
2QWX_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])
Melatonin4 / 8
ILE A 136
PHE A 140
GLY A 149
ILE A 106
1.07A22.26
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.
3ONN_A_ACTA271_0
(PROTEIN SSM1)
Acetic acid4 / 5
GLY A 138
LYS B   1
GLU A 166
GLY B   2
1.59A21.99
None
None
PJE  C   5 (-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.
3BJ8_C_SPMC500_1
(DIAMINE
ACETYLTRANSFERASE 1)
Spermine4 / 6
LEU A  57
ASP A 187
LEU C   4
HIS A  41
1.40A19.53
None
None
PJE  C   5 ( 4.1A)
PJE  C   5 (-4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_D_ADND401_2
(ADENOSINE KINASE)
Adenosine4 / 5
CYH B  22
LEU B  89
SER B  65
LEU B  87
1.11A23.28
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.
3DH0_B_SAMB300_0
(SAM DEPENDENT
METHYLTRANSFERASE)
S-Adenosylmethionine5 / 12
ARG A   4
VAL B 296
GLN B 299
ALA B 129
THR B 111
1.50A17.87
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.
4MXO_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
Bosutinib5 / 12
LEU B 205
ILE B 213
THR B 257
LEU B 220
ASP B 216
1.40A24.63
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.
5HES_A_032A401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLT)
Vemurafenib5 / 12
ILE B 259
ILE B 213
THR B 257
ALA B 260
PHE B 219
1.40A20.29
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.
4RYA_A_MTLA501_0
(ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL))
Mannitol5 / 12
GLY B   2
PHE A 140
ALA A 116
VAL A 114
GLN B 299
1.52A19.60
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.
5IZJ_G_AZ1G2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
47P-AZ1-DAR-DAR)
Azelaic Acid4 / 7
GLY B  29
GLY B 120
SER B 121
VAL B  20
1.04A20.79
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.
3HAV_A_SRYA403_1
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)
Streptomycin4 / 8
SER B   1
ASP B 216
CYH B 300
ASP B 295
1.42A22.99
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.
1KT4_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)
Vitamin A5 / 12
LEU B 262
LEU B 250
ALA B 210
ALA B 206
VAL B 247
1.64A20.33
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.
5KIR_A_RCXA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
Rofecoxib5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.32A19.74
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.
3V4T_H_ACTH502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)
Acetic acid3 / 3
SER B 301
GLY B 302
GLN B 256
1.27A22.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M66_D_ADND502_2
(ADENOSYLHOMOCYSTEINA
SE)
Adenosine3 / 3
THR A 243
THR A 199
LEU A 268
1.02A19.63
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.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)
Simeprevir5 / 12
GLN B 189
VAL B 171
PHE B 185
ALA B 193
ALA B 194
1.28A22.73
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.
5BTC_G_CPFG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
Ciprofloxacin4 / 6
ARG B 105
GLY B 109
THR B 198
GLU B 240
1.62A21.09
21.27
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.
2XFS_B_J01B600_1
(ORF12)
Clavulanate5 / 11
LYS B 137
ALA B 193
THR B 169
ALA B 194
GLY B 195
1.75A20.76
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.
4JDS_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
S-Adenosylmethionine5 / 11
ILE B  43
GLU B  55
GLY B 179
ASN B  84
HIS B  41
1.45A18.43
None
None
None
None
PJE  D   5 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A6I_A_TCWA1124_1
(TRANSTHYRETIN)
Tolcapone4 / 6
LEU B 202
ALA B 206
LEU B 205
VAL B 297
1.37A19.27
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.
6BP4_B_SAMB505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)
S-Adenosylmethionine5 / 12
GLY A 179
HIS A 163
TYR A 161
CYH A 145
GLY A 149
1.69A23.51
None
PJE  C   5 (-3.6A)
None
PJE  C   5 (-1.8A)
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.
3K13_C_THHC643_1
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)
Levomefolic acid3 / 3
ASN B 203
ASP B 295
ARG B 105
0.95A21.45
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.
4OAD_A_CLMA205_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)
Chloramphenicol5 / 12
PHE A 305
GLU B  14
CYH B 117
ALA B   7
TYR B 126
1.61A17.81
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.
6B8K_A_W9TA300_0
(GALECTIN-3)
Lactulose4 / 7
ASN A  51
ARG A 188
ASN A  53
ARG A  40
1.36A19.55
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.
6AV4_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.74A20.55
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.
5QHA_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.94A20.66
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.
2QD5_A_CHDA702_0
(FERROCHELATASE)
Cholic Acid3 / 3
LEU A 253
PRO A 252
ARG A 298
1.28A20.05
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.
2BDM_A_TMIA503_1
(CYTOCHROME P450 2B4)
Bifonazole4 / 8
LEU A  32
VAL A  18
VAL A 148
VAL A 157
1.07A23.34
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.
4RRW_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
Lumiracoxib5 / 12
VAL B 125
LEU B 115
VAL B  13
GLY B  11
SER A  10
1.33A20.10
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.
4J83_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
S-Adenosylmethionine5 / 11
ILE B  43
GLU B  55
GLY B 179
ASN B  84
HIS B  41
1.48A19.38
None
None
None
None
PJE  D   5 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_A_ZPCA1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)
Eszopiclone4 / 7
GLU A 288
GLU A 290
PHE A 291
VAL A 125
1.52A21.61
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.
3A51_A_VDYA6178_1
(VITAMIN D
HYDROXYLASE)
Calcidiol5 / 11
ILE B 249
LEU B 202
VAL B 297
PRO B 252
LEU B 253
1.50A21.09
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
Meclofenamic acid5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.31A20.56
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)
Glucosamine3 / 3
GLY B 179
ASN B  84
ARG B  88
1.56A20.51
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.
5F1A_A_SALA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
Salicylic acid4 / 8
VAL A 125
LEU A 115
GLY A  11
SER B  10
1.19A20.75
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.
6AF6_A_GLYA507_0
(L-PROLYL-[PEPTIDYL-C
ARRIER PROTEIN]
DEHYDROGENASE)
Glycine3 / 3
TYR B  54
HIS B  41
MET B 165
1.03A22.89
None
PJE  D   5 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AWP_A_FVXA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)
Fluvoxamine5 / 9
ASP B 153
SER B 158
SER A 123
GLY A 124
THR B 292
1.61A20.73
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.
3HGI_A_BEZA284_0
(CATECHOL
1,2-DIOXYGENASE)
Benzoic Acid5 / 12
VAL B 114
ILE B 136
GLY B 138
HIS B 163
HIS B 172
1.70A21.14
None
None
None
PJE  D   5 (-3.7A)
PJE  D   5 (-4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Y4L_B_SVRB301_1
(PHOSPHOLIPASE A2
HOMOLOG 2)
Suramin5 / 12
GLY A  29
LEU A 115
GLY A 149
TYR A 101
PRO A  99
1.75A19.00
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.
4F92_B_SANB2201_1
(U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE)
Sulfanilamide5 / 9
HIS A 246
GLU A 240
TYR A 239
ASN A 203
GLY A 109
1.34A11.79
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.
4JDS_D_SAMD401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
S-Adenosylmethionine5 / 11
ILE B  43
GLU B  55
GLY B 179
ASN B  84
HIS B  41
1.50A18.43
None
None
None
None
PJE  D   5 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B94_B_W9TB201_0
(GALECTIN-1)
Lactulose5 / 10
ASN A  51
ARG A 188
ASP A 187
ASN A  53
ARG A  40
1.53A18.09
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.
6ECE_C_DVAC3010_0
(VLM2
DODECADEPSIPEPTIDE)
L-Valine3 / 3
ALA A 206
PHE A 291
GLN A 299
1.47A21.25
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.
2W26_A_RIVA1001_1
(ACTIVATED FACTOR XA
HEAVY CHAIN)
Rivaroxaban5 / 12
PHE A   8
SER B 139
CYH A 300
GLY A 302
TYR B 118
1.56A19.42
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.
4EB4_C_D16C402_1
(THYMIDYLATE SYNTHASE)
Raltitrexed5 / 9
ARG B 298
ILE B 152
GLY B 149
PHE B 150
TYR B 182
1.77A21.18
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.
3HCP_A_CHDA3_0
(FERROCHELATASE,
MITOCHONDRIAL)
Cholic Acid3 / 3
GLY A  11
ILE B 152
LEU A 115
0.65A20.31
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.
5TUD_D_ERMD1201_2
(5-HYDROXYTRYPTAMINE
RECEPTOR 2B,SOLUBLE
CYTOCHROME B562
CHIMERA)
Ergotamine5 / 6
LEU B  87
VAL B  42
THR B  25
LEU B  89
LEU B  75
1.76A21.16
None
None
010  D   6 (-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.
2W3M_B_FOLB1188_0
(DIHYDROFOLATE
REDUCTASE)
Folic Acid5 / 12
ALA C   2
LEU A 167
PHE A 185
PHE A 181
THR A 190
1.49A12.00
02J  C   1 ( 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.
4RP8_A_ASCA501_0
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)
Vitamin C5 / 11
THR B 175
TYR B 161
HIS B 163
ALA D   2
PHE B 185
1.59A22.41
None
None
PJE  D   5 (-3.7A)
02J  D   1 ( 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.
1DBB_H_STRH229_1
(IGG1-KAPPA DB3 FAB
(HEAVY CHAIN)
IGG1-KAPPA DB3 FAB
(LIGHT CHAIN))
Progesterone4 / 8
GLY B   2
GLY A 138
HIS A  41
VAL C   3
1.26A20.63
21.54
None
None
PJE  C   5 (-4.5A)
02J  C   1 ( 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.
5YU9_C_1E8C1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
Ibrutinib5 / 12
VAL B 296
ALA B 210
LEU B 208
GLY B 302
THR B 257
1.69A21.82
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.
6B1E_A_LF7A801_1
(DIPEPTIDYL PEPTIDASE
4)
Vildagliptin5 / 11
ARG B 298
TYR A 118
VAL A 114
TYR A 126
VAL A 125
1.78A16.19
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.
6B1E_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)
Vildagliptin5 / 12
ARG B 298
TYR A 118
VAL A 114
TYR A 126
VAL A 125
1.76A16.19
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.
5VV2_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A20.55
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.
5CPR_B_SAMB402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)
S-Adenosylmethionine3 / 3
HIS B 163
SER B 123
ASN B  28
1.68A20.90
PJE  D   5 (-3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F5Z_A_BEZA302_0
(HALOALKANE
DEHALOGENASE)
Benzoic Acid4 / 8
PHE A 181
LEU C   4
HIS A 163
TYR A 161
1.44A21.99
None
PJE  C   5 ( 4.1A)
PJE  C   5 (-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.
4JLG_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
S-Adenosylmethionine5 / 12
ILE B  43
GLU B  55
GLY B 179
ASN B  84
HIS B  41
1.52A18.43
None
None
None
None
PJE  D   5 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DZY_A_9CRA463_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
Alitretinoin5 / 12
ILE B 259
ALA B 267
PHE B 219
LEU B 220
LEU B 250
1.48A20.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XKK_E_MFXE1100_1
(TOPOISOMERASE IV
DNA)
Moxifloxacin3 / 3
ARG A   4
GLU A 290
SER B 113
1.48A18.30
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.
1ERR_A_CCSA381_0
(ESTROGEN RECEPTOR)
Carbocisteine4 / 5
HIS A 172
GLU A 166
ALA C   2
HIS A  41
1.34A21.19
PJE  C   5 (-4.5A)
PJE  C   5 (-3.7A)
02J  C   1 ( 3.7A)
PJE  C   5 (-4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUY_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.73A20.55
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.
5CSW_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
Dabrafenib5 / 12
PHE A 140
VAL A 125
ALA A   7
PHE A 150
GLY A 149
1.40A22.16
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.
4E47_D_SAMD800_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
S-Adenosylmethionine5 / 10
ILE B  43
GLU B  55
GLY B 179
ASN B  84
HIS B  41
1.53A18.43
None
None
None
None
PJE  D   5 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B9L_A_AZZA1010_1
(SERUM ALBUMIN)
Zidovudine4 / 8
LEU A 167
HIS A 163
GLY A 138
LYS B   1
1.31A18.57
None
PJE  C   5 (-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.
6AV1_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.73A20.55
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.
1SN5_C_T3C601_2
(TRANSTHYRETIN)
Liothyronine4 / 8
LEU B 202
ALA B 206
LEU B 205
VAL B 297
1.30A16.19
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.
1BZM_A_MZMA262_1
(CARBONIC ANHYDRASE I)
Methazolamide4 / 8
PHE B 181
HIS B 163
HIS B 172
LEU D   4
1.16A22.01
None
PJE  D   5 (-3.7A)
PJE  D   5 (-4.3A)
PJE  D   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYR_B_SVRB401_2
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)
Suramin4 / 6
GLN B  83
ASN B  84
ASN B  63
LEU B  89
1.56A22.43
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.
4U5J_A_RXTA601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)
Ruxolitinib5 / 11
GLY B   2
VAL A 171
ALA A 194
GLY A 174
ALA C   2
1.44A24.06
None
None
None
None
02J  C   1 ( 3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W3B_A_FOLA401_0
(DIHYDROFOLATE
REDUCTASE)
Folic Acid5 / 12
ALA C   2
LEU A 167
PHE A 185
PHE A 181
THR A 190
1.49A12.00
02J  C   1 ( 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.
5ZVG_A_SAMA401_1
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)
S-Adenosylmethionine3 / 3
ASP A 187
ARG A 188
ASP A  48
1.67A20.54
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.
3A51_D_VDYD6178_1
(VITAMIN D
HYDROXYLASE)
Calcidiol5 / 12
ILE B 249
LEU B 202
VAL B 297
PRO B 252
LEU B 253
1.49A21.09
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.
5QHH_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.90A20.66
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.
6C2M_C_SUEC1203_0
(NS3 PROTEASE)
Grazoprevir5 / 12
VAL B 296
ASP B 295
ARG A   4
PHE B 112
ALA B 129
1.26A23.13
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.
6JOG_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)
Vitamin C4 / 6
GLY B 138
HIS B 163
SER B 147
SER B 144
1.43A20.90
None
PJE  D   5 (-3.7A)
None
PJE  D   5 (-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.
1ONI_D_BEZD507_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
Benzoic Acid4 / 7
PHE B 219
ALA B 211
ILE B 259
TYR B 209
1.15A20.32
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.
1Q23_G_FUAG708_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)
Fusidic Acid5 / 11
THR A 111
PHE A   8
PHE A   3
VAL A 303
PHE A 305
1.64A24.39
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.
5AGP_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.76A21.09
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.
6A5Z_L_9CRL501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
Alitretinoin6 / 12
ILE B 259
ALA B 267
PHE B 219
LEU B 220
ILE B 213
LEU B 250
1.75A20.89
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.
1GTF_E_TRPE81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))
L-Tryptophan5 / 9
GLY A 195
THR A 135
GLY A 170
ALA C   2
THR A 169
1.43A13.71
None
None
None
02J  C   1 ( 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.
1GSF_A_EAAA223_1
(GLUTATHIONE
TRANSFERASE A1-1)
Etacrynic acid4 / 8
TYR A 161
GLY A 174
VAL C   3
PHE A 140
1.09A19.94
None
None
02J  C   1 ( 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.
4MK4_A_CHDA503_0
(FERROCHELATASE,
MITOCHONDRIAL)
Cholic Acid5 / 10
LEU A 202
LEU A 205
LEU A 208
ILE A 249
VAL A 296
1.60A20.05
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.
3FRE_X_TOPX300_1
(DIHYDROFOLATE
REDUCTASE)
Trimethoprim5 / 9
LEU B 242
LEU B 205
VAL B 261
ILE B 249
THR B 225
1.49A22.14
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.
1S9P_B_DESB459_2
(ESTROGEN-RELATED
RECEPTOR GAMMA)
Diethylstilbestrol3 / 3
LEU B 205
HIS B 246
ILE B 249
1.04A20.25
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.
4TVT_A_ASCA303_0
(THAUMATIN-1)
Vitamin C4 / 7
LEU A 115
GLU A  14
SER A  10
VAL B  13
1.51A18.93
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.
3KO0_E_TFPE201_1
(PROTEIN S100-A4)
Trifluoperazine4 / 7
GLY B   2
PHE B   3
MET B   6
PHE B 291
1.50A16.27
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.
4MGH_A_ACTA1320_0
(PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE)
Acetic acid4 / 5
VAL B 212
LEU B 220
ILE B 259
ARG B 217
0.98A12.61
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.
4P6S_B_DAHB305_1
(TYROSINASE)
Levodopa4 / 7
HIS B 163
HIS B 172
ARG A   4
VAL B 171
1.49A20.12
PJE  D   5 (-3.7A)
PJE  D   5 (-4.3A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AI8_A_HNQA255_1
(CATHEPSIN B)
Nitroxoline4 / 7
GLY A 149
HIS A 163
HIS A 164
CYH A 145
1.57A22.12
None
PJE  C   5 (-3.6A)
None
PJE  C   5 (-1.8A)
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.
3QG2_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
Pyrimethamine5 / 11
ASP B 295
ASN B 214
SER B   1
LEU B 282
THR B 292
1.68A18.63
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.
3OY4_B_017B200_2
(HIV-1 PROTEASE)
Darunavir5 / 10
LEU D   4
GLY B 174
ALA B 173
GLY B 138
VAL D   3
1.50A8.57
PJE  D   5 ( 4.1A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH6_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A20.55
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.
1FDU_A_ESTA351_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)
Estradiol5 / 12
VAL A 148
GLY A 149
GLY A 146
PHE A 140
SER A 123
1.22A21.92
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.
5JCN_B_ASCB502_0
(OS09G0567300 PROTEIN)
Vitamin C4 / 6
GLU B  14
PRO A   9
GLY A  11
PHE A 150
1.71A21.13
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.
3FRB_X_TOPX300_1
(DIHYDROFOLATE
REDUCTASE)
Trimethoprim5 / 11
LEU B 242
LEU B 205
VAL B 261
ILE B 249
THR B 225
1.46A21.79
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.
4R38_B_RBFB201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)
Riboflavin5 / 12
ALA B 206
ASN B 203
GLN B 110
ILE B 249
ASN B 151
1.60A19.21
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.
5UHG_C_RFPC1201_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)
Rifampicin5 / 12
ASP A 187
HIS A  41
ARG A  60
ILE A  43
ARG A  40
1.58A13.49
None
PJE  C   5 (-4.5A)
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.
6B94_A_W9TA201_0
(GALECTIN-1)
Lactulose4 / 8
ASN A  51
ARG A 188
ASN A  53
ARG A  40
1.49A18.09
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.
5C0O_F_SAMF301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)
S-Adenosylmethionine5 / 12
GLY A 174
GLY A 183
HIS A 164
ASP A 176
LEU A 177
1.14A20.81
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.
3SXR_B_1N1B2_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)
Dasatinib6 / 12
LEU B 253
VAL B 297
ALA B 206
THR B 292
ILE B 249
GLY B 251
1.77A21.38
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.
3OF4_B_ACTB313_0
(NITROREDUCTASE)
Acetic acid3 / 3
ALA A 234
VAL A 233
GLN A 273
1.30A21.68
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.
3ASN_P_CHDP1271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)
Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.21A21.81
12.50
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.
2UXO_B_TACB1211_1
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR)
Tetracycline5 / 11
LEU B  30
VAL B  13
CYH B 160
VAL B 157
ILE B 152
1.58A20.90
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.
1MJL_B_SAMB400_0
(METHIONINE REPRESSOR
PROTEIN METJ)
S-Adenosylmethionine5 / 9
HIS B  41
LEU D   4
HIS B 164
PHE B 185
GLY B 174
1.57A15.20
PJE  D   5 ( 4.9A)
PJE  D   5 ( 4.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO6_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.76A20.55
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.
3AI8_B_HNQB255_1
(CATHEPSIN B)
Nitroxoline4 / 6
GLY A 149
HIS A 163
HIS A 164
CYH A 145
1.51A22.12
None
PJE  C   5 (-3.6A)
None
PJE  C   5 (-1.8A)
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.
4I13_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)
Folic Acid3 / 3
ASP B 295
ARG A   4
THR B 292
1.79A18.42
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.
5TWJ_C_SAMC201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)
S-Adenosylmethionine5 / 12
ASP B  34
ILE B  78
GLY B  79
SER B  94
LEU B  75
1.41A18.69
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.
2A69_M_RPTM8002_1
(DNA-DIRECTED RNA
POLYMERASE BETA
CHAIN)
Rifapentine5 / 12
GLN A 299
ASP A 295
ARG A 298
SER B 123
ASN A 151
1.71A15.37
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.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)
Parachlorophenol4 / 6
PHE A 305
PHE A   8
THR A 304
VAL A 303
1.57A18.97
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.
5VUS_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.73A21.09
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.
5QGJ_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.91A20.66
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.
2A68_M_RBTM8002_1
(DNA-DIRECTED RNA
POLYMERASE BETA
CHAIN)
Rifabutin5 / 11
GLN B 107
GLN B 110
PHE B 112
ASP B 295
ILE B 249
1.49A15.37
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.
5AD9_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A21.09
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)
Cefamandole4 / 8
LEU D   4
ALA B 191
THR B 190
GLY B 174
1.26A5.45
PJE  D   5 ( 4.1A)
02J  D   1 ( 4.2A)
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.
3TJ7_A_ACTA604_0
(GBAA_1210 PROTEIN)
Acetic acid4 / 6
TYR B 118
GLY A 302
SER B 123
THR A 304
1.58A19.54
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.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
Pioglitazone5 / 12
CYH B  85
HIS B 163
LEU D   4
PHE B 181
TYR B 161
1.74A22.39
None
PJE  D   5 (-3.7A)
PJE  D   5 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZGY_A_BRLA503_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)
Rosiglitazone4 / 5
ILE A 281
ILE A 200
ILE A 286
LEU A 250
1.35A22.67
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.
5XU8_A_DX4A701_0
(UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 2)
Tioguanine4 / 8
GLY B 124
LEU B 115
SER B 113
ALA B   7
1.19A20.57
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.
5BTA_H_MFXH101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)
Moxifloxacin4 / 6
GLY B 109
THR B 198
GLU B 240
ARG B 105
1.52A21.09
21.27
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.
5Y7P_G_CHDG401_0
(BILE SALT HYDROLASE)
Cholic Acid5 / 10
LEU A 271
ILE A 286
PHE A 291
ALA A 211
GLU A 270
1.46A20.00
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.
1MJQ_H_SAMH200_0
(METHIONINE REPRESSOR)
S-Adenosylmethionine5 / 10
HIS B 164
PHE B 185
GLY B 174
HIS B  41
LEU D   4
1.62A15.20
None
None
None
PJE  D   5 ( 4.9A)
PJE  D   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IK7_A_IMNA201_1
(TRANSTHYRETIN)
Indomethacin4 / 7
MET A 130
THR A 135
ALA A 173
VAL A 171
1.40A19.27
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.
3ABK_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)
Cholic Acid4 / 6
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.21A21.81
12.50
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.
5VV1_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 6
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A20.55
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.
5OY0_B_PQNB841_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)
Phylloquinone5 / 11
ILE B 152
SER B 144
ARG A   4
ILE B 136
ALA B 116
1.72A17.46
None
PJE  D   5 (-3.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_D_CVID301_1
(REGULATORY PROTEIN
TETR)
Gentian Violet4 / 8
GLN B 110
GLY B 109
GLU B 290
ILE B 136
1.44A21.52
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.
4D32_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 8
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.78A21.09
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.
5WGD_B_ESTB601_1
(ESTROGEN RECEPTOR)
Estradiol5 / 11
LEU B 220
ALA B 267
GLU B 270
LEU B 271
LEU B 205
1.79A20.13
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.
5IK1_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)
Camphor5 / 7
PHE B   8
GLY B 149
ASP B 153
ILE B 152
VAL B 157
1.60A20.89
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.
1CRB_A_RTLA200_0
(CELLULAR RETINOL
BINDING PROTEIN)
Vitamin A5 / 12
LEU A 250
LEU A 253
ALA A 206
ILE A 106
THR A 111
1.41A18.59
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.
5BTD_E_GFNE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)
Gatifloxacin4 / 7
ALA A 234
ASP A 197
THR A 111
GLU A 290
1.34A21.09
21.27
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.
5HIE_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
Dabrafenib5 / 12
GLY A 179
PHE A 181
LEU C   4
LEU A  27
GLY A 146
1.35A22.09
None
None
PJE  C   5 ( 4.1A)
PJE  C   5 ( 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.
4RZV_B_032B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
Vemurafenib5 / 12
VAL A 125
ALA A   7
SER B 113
GLY B  11
GLY A  15
1.50A21.56
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.
2QEO_B_LNRB200_1
(D7R4 PROTEIN)
Norepinephrine5 / 10
GLU A 290
ILE A 136
ARG A 131
ILE A 106
ASP A 197
1.63A17.31
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.
5VUO_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)
Mannitol4 / 8
SER B 113
GLN B 110
PHE B 112
ASP B 295
1.60A21.09
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.
4KR4_C_AICC401_1
(OUTER MEMBRANE
PROTEIN F)
Ampicillin4 / 8
ARG A   4
TYR B 126
ASP B 295
GLU B 288
1.66A21.91
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.
2ITZ_A_IREA2021_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
Gefitinib5 / 12
LEU A 167
VAL A 171
LYS A 137
GLU A 290
GLY A 195
1.46A22.16
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.
3ASO_P_CHDP1271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)
Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.21A21.81
12.50
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.
6AV0_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.76A20.55
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.
4QZU_C_RTLC201_0
(RETINOL-BINDING
PROTEIN 2)
Vitamin A5 / 12
PHE B 181
ALA B 173
GLN B 192
THR B 190
LEU D   4
1.33A19.51
None
None
None
None
PJE  D   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AN2_A_EUIA1382_2
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)
Cobimetinib4 / 4
ASN A 119
SER B   1
LEU A 141
THR A  26
1.63A20.48
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.
4TVT_A_ASCA302_0
(THAUMATIN-1)
Vitamin C3 / 3
ARG A   4
GLN B 127
GLU B 290
1.26A18.93
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.
3SUG_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)
Grazoprevir5 / 12
HIS B 164
GLY B 174
VAL B 186
ASP B 187
GLY B 146
1.58A22.22
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.
1NBH_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)
S-Adenosylmethionine5 / 12
ILE B 286
GLY A 283
ALA A 211
TRP A 218
GLY A 278
1.39A22.74
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.
4J7X_B_SASB804_1
(SEPIAPTERIN
REDUCTASE)
Sulfasalazine5 / 12
PHE B 181
PRO B  52
ALA D   2
MET B 165
LEU D   4
1.48A24.57
None
None
02J  D   1 ( 3.6A)
None
PJE  D   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q13_A_TESA501_1
(PROSTAGLANDIN-E2
9-REDUCTASE)
Testosterone4 / 6
TYR A 161
HIS A 163
GLU A 290
VAL A 171
1.66A22.49
None
PJE  C   5 (-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.
1GTF_Q_TRPQ81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))
L-Tryptophan5 / 11
GLY A 170
ALA C   2
THR A 169
GLY A 195
THR A 135
1.48A13.71
None
02J  C   1 ( 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.
5EF2_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
L-Tryptophan4 / 8
SER A 144
GLY A 138
HIS A 172
ALA A 116
1.01A13.71
PJE  C   5 (-4.1A)
None
PJE  C   5 (-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.
6HD6_A_STIA603_1
(TYROSINE-PROTEIN
KINASE ABL1)
Imatinib4 / 5
LEU B  32
ILE B 136
MET B  17
GLY B  15
1.35A21.33
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.
4UH3_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.76A21.09
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.
5CR1_A_T44A201_1
(TRANSTHYRETIN)
Levothyroxine4 / 5
LEU B 202
ALA B 206
LEU B 205
VAL B 297
1.36A15.76
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.
1GTF_N_TRPN81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN
(TRAP))
L-Tryptophan4 / 8
GLY A 138
HIS A 172
ALA A 116
SER A 144
1.01A13.71
None
PJE  C   5 (-4.5A)
None
PJE  C   5 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QH3_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.88A20.66
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)
Haloperidol4 / 6
TYR A 161
GLN A 127
VAL A 125
ALA A 173
1.70A20.75
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.
4O0S_A_ADNA500_1
(AURORA KINASE A)
Adenosine5 / 11
LEU B 167
GLY B 170
ALA D   2
LEU D   4
ASN B 142
1.42A21.08
None
None
02J  D   1 ( 3.6A)
PJE  D   5 ( 4.1A)
PJE  D   5 ( 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.
1P93_A_DEXA1999_1
(GLUCOCORTICOID
RECEPTOR)
Betamethasone5 / 12
MET A 264
LEU A 205
LEU A 242
THR A 257
ILE A 259
1.49A19.94
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.
3HS4_A_AZMA702_1
(CARBONIC ANHYDRASE 2)
Acetazolamide4 / 7
VAL A 233
LYS A 236
TYR A 237
GLU A 270
1.70A23.05
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.
4EJG_A_NCTA501_1
(CYTOCHROME P450 2A13)
Nicotine4 / 7
PHE A 305
PHE A   8
ALA A   7
LEU B 115
1.25A18.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZUC_B_T98B202_1
(PROGESTERONE
RECEPTOR)
Tanaproget5 / 12
LEU B 202
LEU B 205
LEU B 268
LEU B 253
THR B 292
1.62A20.73
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)
Cefamandole4 / 5
ARG A 131
THR A 199
GLU A 288
GLU A 290
1.60A23.05
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.
1E7W_A_MTXA301_1
(PTERIDINE REDUCTASE)
Methotrexate5 / 12
ASP A 176
TYR A 161
TYR A 182
LEU A  86
ASP A 187
1.59A23.39
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.
3VRM_A_VD3A502_1
(VITAMIN D(3)
25-HYDROXYLASE)
Cholecalciferol5 / 12
ILE B 213
LEU B 208
MET B 264
LEU B 253
LEU B 282
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.
5YCN_A_8LXA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
Lobeglitazone4 / 6
CYH A 145
SER A 144
HIS A 172
TYR A 126
1.75A21.99
PJE  C   5 (-1.8A)
PJE  C   5 (-4.1A)
PJE  C   5 (-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.
4CDT_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.77A21.09
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.
5UO7_B_H4BB803_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.77A20.55
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.
5W4Z_A_RBFA502_1
(RIBOFLAVIN LYASE)
Riboflavin6 / 12
PHE B 291
GLY A 124
PHE B   3
ALA B 210
PHE B   8
SER A 123
1.67A20.26
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.
4XV2_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
Dabrafenib5 / 12
PHE A 140
VAL A 125
ALA A   7
PHE A 150
GLY A 149
1.47A21.60
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.
2FR3_A_REAA300_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
2)
Tretinoin5 / 12
LEU B 167
ILE B 136
ALA B 173
THR B 175
TYR B  54
1.20A17.83
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.
3KEC_A_HAEA272_1
(COLLAGENASE 3)
Acetohydroxamic Acid4 / 5
LEU A 141
GLU A 166
HIS A 172
HIS A 163
1.69A19.18
None
PJE  C   5 (-3.7A)
PJE  C   5 (-4.5A)
PJE  C   5 (-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.
4IAR_A_ERMA2001_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 1B AND E.
COLI SOLUBLE
CYTOCHROME B562)
Ergotamine4 / 7
ILE B 286
THR B 285
SER A 284
ASP B 295
1.33A20.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)
Methotrexate5 / 12
ALA A 173
LEU C   4
GLN A 189
LEU A  27
TYR A 161
1.71A20.00
None
PJE  C   5 ( 4.1A)
None
PJE  C   5 ( 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.
2IVU_A_ZD6A3015_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
PRECURSOR)
Vandetanib3 / 3
ALA B   7
GLY B 124
SER A 113
0.89A22.00
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.
5QHE_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.93A20.66
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.
5QH5_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.84A20.66
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.
5QGN_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.86A20.66
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.
5X1F_P_CHDP304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)
Cholic Acid4 / 7
LEU A  30
PHE A 150
PHE A 159
LEU A  32
1.19A21.81
12.50
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.
4JLG_B_SAMB401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)
S-Adenosylmethionine5 / 11
ILE B  43
GLU B  55
GLY B 179
ASN B  84
HIS B  41
1.53A18.43
None
None
None
None
PJE  D   5 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EIL_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)
Folic Acid5 / 11
VAL B  13
PHE B 103
SER B 158
VAL B 148
THR B  98
1.51A20.86
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.
5EF3_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)
L-Tryptophan4 / 8
SER A 144
GLY A 138
HIS A 172
ALA A 116
1.01A13.71
PJE  C   5 (-4.1A)
None
PJE  C   5 (-4.5A)
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4J5J_B_478B401_1
(PROTEASE)
Amprenavir5 / 8
LEU D   4
GLY B 174
ALA B 173
GLY B 138
VAL D   3
1.57A33.33
PJE  D   5 ( 4.1A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ME6_A_CGEA501_1
(CYTOCHROME P450 2B4)
Clopidogrel5 / 10
VAL A 296
ILE A 213
ALA A 255
ILE A 259
VAL A 212
1.41A23.34
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.
4WKQ_A_IREA1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
Gefitinib5 / 12
LEU A 208
LEU A 262
ASP A 245
LEU A 242
THR A 201
1.32A21.61
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)
Quinidine5 / 11
GLY B 143
LEU B  27
PHE B 140
ALA B 116
SER B 147
1.40A20.95
PJE  D   5 (-2.8A)
PJE  D   5 ( 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.
3SFU_C_RBVC601_1
(RNA POLYMERASE)
Ribavirin5 / 11
ARG A 279
LEU A 271
LEU A 282
ASN A 214
GLY A 215
1.36A19.70
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.
5KOC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)
S-Adenosylmethionine5 / 12
PHE B 112
SER B 113
THR B 292
ASN B 203
GLN B 110
1.51A22.28
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.
6B0L_B_TA1B502_1
(TUBULIN BETA CHAIN)
Paclitaxel5 / 12
VAL B 212
ASP B 216
LEU B 202
LEU B 250
THR B 201
1.44A20.31
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.
2F7F_A_NIOA601_1
(NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE, PUTATIVE)
Niacin4 / 6
ARG A  60
SER A  65
GLY A  23
THR A  24
1.52A20.36
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.
3QXT_A_MTXA2000_1
(ANTI-METHOTREXATE
CDR1-3 GRAFT VHH)
Methotrexate5 / 12
VAL A 114
ALA A 116
SER A 139
SER B   1
ARG B 298
1.73A18.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C6Z_B_ROCB505_1
(PROTEIN (PROTEASE))
Saquinavir5 / 12
ILE B 106
GLY B 109
ILE B 200
THR B 135
ILE B 136
1.33A17.11
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.
6B89_A_NOVA403_1
(LIPOPOLYSACCHARIDE
EXPORT SYSTEM
ATP-BINDING PROTEIN
LPTB)
Novobiocin5 / 10
HIS A 164
ALA A 173
GLU A  47
VAL A 186
ARG A 188
1.70A22.81
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.
5W7P_A_SAMA501_0
(OXAC)
S-Adenosylmethionine5 / 12
PHE B 150
GLY A  11
SER A  10
LEU B 115
LEU B  30
1.43A20.54
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.
6B89_B_NOVB403_1
(LIPOPOLYSACCHARIDE
EXPORT SYSTEM
ATP-BINDING PROTEIN
LPTB)
Novobiocin4 / 7
PHE A   3
ARG A   4
LEU A 282
ALA A 210
1.37A22.81
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.
5HG0_B_SAMB301_0
(PANTOTHENATE
SYNTHETASE)
S-Adenosylmethionine5 / 12
HIS B 172
HIS B 163
TYR B 126
VAL B  13
GLY B 143
1.56A23.01
PJE  D   5 (-4.3A)
PJE  D   5 (-3.7A)
None
None
PJE  D   5 (-2.8A)
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.
3N8X_A_NIMA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
Nimesulide5 / 12
PHE B 150
ILE B 152
GLY B  11
SER A  10
LEU A 115
1.30A18.97
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.
5JVZ_A_FLPA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
Flurbiprofen5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.34A20.87
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.
5VV3_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.75A20.55
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.
5WZ1_B_SAMB601_0
(NS5
METHYLTRANSFERASE)
S-Adenosylmethionine5 / 12
GLY A 138
GLY B   2
GLU A 166
VAL A 114
ILE A 136
1.29A22.46
None
None
PJE  C   5 (-3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RHW_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)
Ivermectin5 / 12
ILE A 106
ILE A 136
GLY A 109
THR A 292
PHE A 294
1.55A23.86
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.
1T46_A_STIA3_2
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)
Imatinib4 / 7
VAL A 157
TYR B 118
CYH B 117
CYH A  16
1.22A20.23
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.
5IKR_A_ID8A601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
Mefenamic acid6 / 12
VAL A 125
LEU A 115
SER A 113
VAL A  13
GLY A  11
SER B  10
1.75A20.56
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.
1MJQ_B_SAMB200_0
(METHIONINE REPRESSOR)
S-Adenosylmethionine5 / 11
HIS B 164
PHE B 185
GLY B 174
HIS B  41
LEU D   4
1.63A15.20
None
None
None
PJE  D   5 ( 4.9A)
PJE  D   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO1_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
ARG A 298
VAL A 157
PHE A 305
GLU B  14
1.79A20.55
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.
4QOP_C_HQEC503_1
(CATALASE)
Hydroquinone4 / 8
ILE A 200
TYR A 239
LEU A 242
PHE A 230
1.12A21.12
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.
3QXV_E_MTXE2000_1
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)
Methotrexate5 / 12
ALA A 116
SER B 301
MET B   6
ARG B 298
TYR A 118
1.80A19.23
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.
6A5Z_D_9CRD501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
Alitretinoin6 / 12
ILE B 259
ALA B 267
PHE B 219
LEU B 220
ILE B 213
LEU B 250
1.75A20.89
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.
1RUK_L_ACTL611_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)
Acetic acid4 / 6
TRP B 207
ASN B 214
LEU B 282
PHE B 219
1.54A23.10
20.45
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.
1DMA_B_NCAB700_0
(EXOTOXIN A)
Nicotinamide4 / 6
HIS A 134
GLY A 183
ALA A 173
TYR A 182
1.42A20.52
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.
4O5F_A_PAUA301_0
(TYPE III
PANTOTHENATE KINASE)
Pantothenic acid5 / 12
VAL A  20
LEU A  30
GLY A  29
THR A  35
LEU A  75
1.48A22.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QZU_B_RTLB201_0
(RETINOL-BINDING
PROTEIN 2)
Vitamin A5 / 12
PHE B 181
ALA B 173
GLN B 192
THR B 190
LEU D   4
1.21A19.51
None
None
None
None
PJE  D   5 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZQ_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)
Mannitol4 / 8
SER B 113
GLN B 110
PHE B 112
ASP B 295
1.67A20.86
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.
4NJT_B_017B101_1
(PROTEASE)
Darunavir5 / 11
ILE B 106
GLY B 109
ILE B 200
THR B 135
ILE B 136
1.30A15.44
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.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))
Tamibarotene5 / 12
PHE A   8
VAL A  13
VAL A 114
THR A 111
ARG A 298
1.50A18.65
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.
5QGX_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.88A20.66
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.
1CBS_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE II)
Tretinoin5 / 12
LEU B 167
ILE B 136
ALA B 173
THR B 175
TYR B  54
1.22A17.83
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.
2P16_A_GG2A298_1
(COAGULATION FACTOR X
(EC 3.4.21.6)
(STUART FACTOR)
(STUART-PROWER
FACTOR))
Apixaban5 / 12
PHE A   8
CYH A 300
SER B 139
GLY A 302
TYR B 118
1.53A19.42
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.
4A99_D_MIYD391_1
(TETX2 PROTEIN)
Minocycline5 / 11
ARG A 279
PHE A 219
ASN A 277
GLY A 283
ASN A 214
1.40A23.50
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.
2W9G_A_TOPA1159_1
(DIHYDROFOLATE
REDUCTASE)
Trimethoprim5 / 10
LEU B 242
LEU B 205
VAL B 261
ILE B 249
THR B 225
1.44A20.52
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.
4FGZ_A_CQAA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)
Amodiaquine4 / 8
GLY B 120
GLY B  29
TYR B  37
VAL B 148
1.23A20.24
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.
3DZU_A_9CRA7223_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
Alitretinoin5 / 12
ASN B 214
ILE B 213
LEU B 220
VAL B 204
LEU B 282
1.47A20.42
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.
3OU7_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)
S-Adenosylmethionine5 / 12
LEU B  27
GLY B  29
MET B  17
LEU B  86
HIS B 163
1.65A20.86
PJE  D   5 ( 4.4A)
None
None
None
PJE  D   5 (-3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2I30_A_SALA1100_1
(SERUM ALBUMIN)
Salicylic acid4 / 6
HIS A 172
PHE A 140
ARG A 131
LYS A 137
1.55A18.57
PJE  C   5 (-4.5A)
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.
3RR3_C_FLRC700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
Flurbiprofen5 / 12
VAL A 125
LEU A 115
VAL A  13
GLY A  11
SER B  10
1.27A20.91
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.
5M5C_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)
Paclitaxel5 / 10
VAL B 296
ASP B 295
LEU B 208
ALA B 210
THR B 285
1.38A20.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V8B_C_ADNC2502_2
(ADENOSYLHOMOCYSTEINA
SE)
Adenosine3 / 3
GLU B 240
THR B 199
LEU B 268
0.78A20.73
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.
4XUM_A_IMNA502_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
Indomethacin4 / 7
ILE A 286
LEU A 268
ILE A 281
MET A 276
1.50A22.63
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.
1MJQ_A_SAMA200_0
(METHIONINE REPRESSOR)
S-Adenosylmethionine5 / 11
HIS B  41
LEU D   4
HIS B 164
PHE B 185
GLY B 174
1.45A15.20
PJE  D   5 ( 4.9A)
PJE  D   5 ( 4.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ND7_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)
Paclitaxel5 / 12
ASP B 289
GLU B 240
ALA B 234
PHE B 230
LEU B 205
1.54A20.64
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.
2BYT_A_LEUA1301_0
(LEUCYL-TRNA
SYNTHETASE)
L-Leucine4 / 7
TYR A 126
TYR A 161
HIS A 172
HIS A 163
1.73A15.67
None
None
PJE  C   5 (-4.5A)
PJE  C   5 (-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.
5N5D_A_SAMA306_0
(METHYLTRANSFERASE)
S-Adenosylmethionine5 / 12
VAL A 303
GLY B 124
ALA B   7
PHE A 305
ALA A   7
1.65A20.69
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.
5VUR_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)
Sapropterin4 / 7
PHE A 305
GLU B  14
ARG A 298
VAL A 157
1.72A21.09
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.
5KPC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)
S-Adenosylmethionine5 / 12
SER B 301
GLY A 143
ASN A  28
SER A 147
THR A  21
1.37A22.52
None
PJE  C   5 (-3.1A)
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.
5HNZ_B_TA1B902_2
(TUBULIN BETA-2B
CHAIN)
Paclitaxel3 / 3
LEU A 268
LEU A 208
ARG A 222
1.06A20.64
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.
5QGY_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)
Acetic acid3 / 3
VAL A  91
VAL A  77
GLN A  74
0.88A20.66
None