PDB ID: 4ovz


Macromolecule:
PAPAIN-LIKE PROTEINASE

Source Organism:
SARS-COV Urbani

Gene names:
-

UniProt ID:
P0C6U8

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '4ovz'

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.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		Levomefolic acid5 / 11
SER A 115
ILE A 105
LEU A  88
ASP A 144
GLY A 143
1.74A22.96
OCS  A 112 ( 4.3A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VLN_A_ASCA904_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)		Vitamin C4 / 6
ARG A  83
LEU B 179
GLU A  78
SER A  79
1.32A21.60
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.
2Q63_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP B 215
ASN B 216
THR B 232
1.16A16.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PM5_A_CE3A301_2
(BETA-LACTAMASE
CTX-M-14)		Cefotaxime3 / 3
CYH B 227
PRO B 224
ASP B 230
1.23A21.52
 ZN  B 901 (-2.6A)
CSO  A 271 ( 4.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YO9_B_ACTB401_0
(3C-LIKE PROTEINASE)		Acetic acid3 / 3
ARG A  83
ASP A  77
TYR A 155
1.69A22.62
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.
3CB8_A_SAMA501_0
(PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME)		S-Adenosylmethionine5 / 12
TYR A 274
HIS A 276
SER A 104
ASN A 111
VAL A 166
1.72A22.49
P85  A 902 (-4.2A)
None
None
OCS  A 112 ( 3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G0E_A_B49A9000_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		Sunitinib5 / 11
LEU A 151
THR A  75
TYR A  72
LEU A  81
ALA A 154
1.41A22.93
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.
2PNJ_A_CHDA501_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 12
LEU B 173
LEU B 174
MET B 207
ILE B 152
LEU B 260
1.39A20.38
None
None
None
None
DMS  B 904 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OAX_A_SNLA1001_2
(MINERALOCORTICOID
RECEPTOR)		Spironolactone4 / 5
LEU B 151
ALA B 145
LEU B 118
MET B 170
1.66A19.69
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.
6CDQ_A_NIZA809_1
(CATALASE-PEROXIDASE)		Isoniazid5 / 9
ARG B 167
GLU A 162
GLU B 204
GLY A 164
THR A 169
1.49A17.99
DMS  A 903 ( 3.7A)
None
None
DMS  A 903 (-3.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R29_D_SAMD301_0
(UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine5 / 12
SER A  86
GLY A  82
ALA B 182
GLY B 202
GLU B 204
1.50A19.29
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.
3RD0_A_EDPA175_1
(FERRITIN LIGHT CHAIN)		Thiopental4 / 6
LEU B 102
ALA B 140
ARG B 141
LEU B 119
1.19A21.25
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.
5BTG_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		Levofloxacin4 / 6
ARG B 285
GLY B 299
THR B 266
GLU B 264
1.43A21.57
21.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		Acarbose5 / 12
ASP A  77
LYS A 158
GLU B 204
ALA B 182
ARG B 184
1.71A22.82
None
DMS  A 903 (-2.2A)
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.
4QZT_A_ACTA202_0
(RETINOL-BINDING
PROTEIN 2)		Acetic acid4 / 6
TYR B 208
THR B 198
LEU B 200
GLN B 233
1.74A18.59
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.
4WNW_B_RTZB602_1
(CYTOCHROME P450 2D6)		Thioridazine5 / 12
LEU B 124
GLN B 123
VAL B 126
VAL B 166
PHE B 305
1.33A21.31
None
DMS  B 904 ( 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.
5SYI_B_NIZB805_1
(CATALASE-PEROXIDASE)		Isoniazid5 / 9
ARG B 167
GLU A 162
GLU B 204
GLY A 164
THR A 169
1.51A16.96
DMS  A 903 ( 3.7A)
None
None
DMS  A 903 (-3.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T9W_A_NFNA6002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		Nafcillin4 / 7
ALA A 154
ARG B 167
ASN A 157
GLU A 162
1.79A14.61
None
DMS  A 903 ( 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.
6NJ9_K_SAMK500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		S-Adenosylmethionine3 / 3
THR A  55
GLU A  68
ASN A  14
1.35A19.95
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.
4TWP_A_AXIA601_1
(TYROSINE-PROTEIN
KINASE ABL1)		Axitinib5 / 12
VAL A 226
GLY B 272
ASN B 111
LEU B 163
ASP B 109
1.47A23.95
None
None
OCS  B 112 ( 4.0A)
P85  B 902 (-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.
2YVL_B_SAMB602_1
(HYPOTHETICAL PROTEIN)		S-Adenosylmethionine3 / 3
GLU A 168
ASP A 303
TYR A 274
1.66A20.81
DMS  A 903 (-3.6A)
None
P85  A 902 (-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.
2VFT_A_SORA1419_0
(XYLITOL OXIDASE)		Sorbitol5 / 12
PRO A  60
VAL A  58
GLN A  20
GLU A  68
THR A  10
1.63A21.23
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.
1RG9_A_SAMA385_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)		S-Adenosylmethionine4 / 8
HIS A  51
THR A  10
PHE A  56
ASP A  38
1.63A22.25
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.
1BRP_A_RTLA183_0
(RETINOL BINDING
PROTEIN)		Vitamin A5 / 12
ALA A 130
PHE A  70
LEU A 174
GLN A 175
PHE A  80
1.75A19.94
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.
6GZ9_A_TXCA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		Valaciclovir5 / 10
TYR A  73
ASN A 147
ALA A 132
ASN A  14
ASN A  89
1.34A19.48
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.
2QEB_A_HSMA145_1
(D7R4 PROTEIN)		Histamine4 / 7
ARG A 167
TYR B 269
TYR A 269
GLU B 168
1.48A20.26
DMS  B 906 (-3.4A)
P85  A 902 (-2.7A)
P85  A 902 ( 3.1A)
DMS  B 906 ( 3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DC3_A_AZMA263_1
(CARBONIC ANHYDRASE 2)		Acetazolamide5 / 12
HIS A 172
HIS B 172
PHE B 128
LEU B 174
THR B 171
1.57A19.53
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.
6B68_D_9F2D400_1
(BETA-LACTAMASE)		Ceftriaxone5 / 12
ASN A 157
THR B 198
THR B 201
GLY B 202
ASP A  77
1.64A20.12
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.
3VWQ_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		Aminocaproic Acid5 / 12
MET B 209
ALA B 247
TYR B 269
ASP B 165
GLY B 210
1.56A19.40
P85  A 902 ( 3.2A)
P85  A 902 ( 4.6A)
P85  A 902 (-2.7A)
P85  B 902 (-3.8A)
P85  A 902 (-3.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9F_P_CLMP221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 9
SER B 246
LEU B 174
VAL B 126
PHE B 242
VAL B 206
1.77A21.65
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.
5L2T_A_6ZZA900_1
(CYCLIN-DEPENDENT
KINASE 6)		Ribociclib5 / 12
GLY A  29
THR A  10
LEU A  37
ALA A  40
ASP A  41
1.32A22.00
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.
1SBR_A_VIBA502_1
(YKOF)		Thiamine4 / 6
ALA A 154
LEU A 153
ILE A 152
SER A 156
1.31A21.23
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.
3KP6_A_SALA3002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		Salicylic acid5 / 8
HIS B 172
LEU B 174
VAL B 117
LEU B 121
LEU B 133
1.50A18.58
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.
4EUZ_A_MEMA401_1
(CARBAPENEM-HYDROLIZI
NG BETA-LACTAMASE
SFC-1)		Meropenem5 / 12
HIS B  90
SER B  86
ASN B  89
THR B 159
THR A 198
1.59A21.58
None
DMS  B 905 ( 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.
5OSR_A_ACTA402_0
(CASEIN KINASE II
SUBUNIT ALPHA)		Acetic acid5 / 7
TYR A 252
VAL A 301
VAL A 304
ASP A 303
ALA A 262
1.52A20.65
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		Methylergometrine5 / 11
THR B  91
LEU B 133
ALA B 146
VAL B 117
TYR B 113
1.55A20.14
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.
3LS4_H_TCIH220_2
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT
LIGHT CHAIN OF
ANTIBODY FAB
FRAGMENT)		Dronabinol4 / 5
TYR A 137
GLN A 122
ILE A 286
LEU A 119
1.61A20.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0I_B_DAHB98_0
(MELC
TYROSINASE)		Levodopa5 / 11
ILE A 286
HIS A 273
VAL A 166
SER A 115
ASP A 303
1.63A19.63
16.67
None
OCS  A 112 ( 3.8A)
None
OCS  A 112 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z37_A_ADNA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		Adenosine5 / 9
GLY B 202
VAL B 203
GLU B 204
GLU A 162
SER A  79
1.68A19.82
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.
5K9D_A_CE9A402_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		Polidocanol5 / 12
ALA B 150
LEU B 153
ALA B 154
PHE B  80
TYR B  73
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.
5M66_C_ADNC502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
THR B 171
GLU A 168
LEU A 173
1.21A21.46
None
DMS  A 903 (-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.
5DXE_A_ESTA1000_1
(ESTROGEN RECEPTOR)		Estradiol4 / 8
LEU A 151
LEU A 153
HIS A 176
LEU A 173
1.21A23.60
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.
4W5O_A_IPHA906_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 5
PHE A 128
VAL A 126
ALA A 177
PHE A 242
1.65A17.40
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.
2WLK_B_SPMB1302_1
(ATP-SENSITIVE INWARD
RECTIFIER POTASSIUM
CHANNEL 10)		Spermine4 / 4
ALA B 154
TYR B  73
ALA B  87
TYR B  84
1.80A19.94
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.
5T8H_B_478B401_2
(PROTEASE)		Amprenavir5 / 12
ARG A 184
LEU A 186
GLY A 220
ASP A 230
ILE A 223
1.24A15.36
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.
4JKS_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
GLY B 100
GLY B 101
SER B 104
ILE B 286
THR B 278
1.62A22.03
None
None
None
None
DMS  B 904 ( 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.
4LTW_A_486A303_1
(ANCESTRAL STEROID
RECEPTOR 2)		Mifepristone5 / 9
THR B  91
ALA B 146
LEU B 118
GLN B  98
PHE B  96
1.59A20.48
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.
1GTI_D_CCSD47_0
(GLUTATHIONE
S-TRANSFERASE)		Carbocisteine4 / 7
GLY A 100
LEU A 291
LYS A 293
TYR A 284
1.39A19.17
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.
3DCS_A_MZMA263_1
(CARBONIC ANHYDRASE 2)		Methazolamide5 / 10
HIS A 172
HIS B 172
PHE B 128
LEU B 174
THR B 171
1.58A19.53
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.
5IQB_B_KANB600_1
(BIFUNCTIONAL AAC/APH)		Kanamycin5 / 11
SER B 115
ASN B 111
ASP B 287
TYR B 265
GLU B 264
1.75A22.99
OCS  B 112 ( 4.7A)
OCS  B 112 ( 4.0A)
None
P85  B 902 (-3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JDV_E_ADNE4260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		Adenosine6 / 12
GLY B 202
VAL B 203
GLU B 204
GLU A 162
SER A  79
ASP A  77
1.63A22.05
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.
4QOI_A_ML1A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Melatonin4 / 8
PHE A 242
PHE A 305
ASN A 263
ILE A 152
1.41A22.26
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.
1PW7_C_RABC647_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		Vidarabine5 / 9
VAL B 203
GLU B 204
GLU A 162
SER A  79
ASP A  77
1.55A21.18
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.
6CBZ_A_ESTA601_1
(ESTROGEN RECEPTOR)		Estradiol4 / 8
LEU A 151
LEU A 153
HIS A 176
LEU A 173
1.20A22.36
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.
4Q0B_A_NVPA901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Nevirapine4 / 8
LEU B 200
VAL B 206
TYR B 208
LEU B 186
1.36A20.25
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.
4LCA_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
GLY B 100
GLY B 101
SER B 104
ILE B 286
THR B 278
1.61A22.03
None
None
None
None
DMS  B 904 ( 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.
2BXM_A_IMNA2001_1
(SERUM ALBUMIN)		Indomethacin4 / 8
ALA B  69
ALA B 132
ARG B 139
LEU B 133
1.28A18.61
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.
5CP4_A_CAMA422_0
(CYTOCHROME P450CAM)		Camphor5 / 9
TYR B 208
LEU B 217
VAL B 221
GLY B 220
VAL B 188
1.56A21.44
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.
5CG5_A_RISA400_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		Risedronate5 / 12
LEU A 291
THR A 282
LYS A 280
THR A 278
GLN A 123
1.66A21.51
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.
4MJ8_B_SPMB201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		Spermine4 / 8
ASN A 129
GLU A 180
GLU B  78
ARG B  66
1.77A22.43
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.
5HRQ_E_IPHE101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		Phenol4 / 7
ILE B 105
HIS B  90
LEU B 153
ALA B 150
1.41A6.94
7.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6JMJ_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		Vitamin C4 / 5
GLY B 161
THR B 159
HIS B  90
SER B  86
1.33A19.75
None
None
None
DMS  B 905 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDX_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT VIIA-HEART)		Cholic Acid5 / 8
LEU A 124
PHE A 305
MET A 170
THR A 171
LEU A 174
1.40A19.88
12.34
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.
1YA3_A_STRA1001_2
(MINERALOCORTICOID
RECEPTOR)		Progesterone4 / 4
LEU B 151
LEU B 153
SER B 156
LEU B 173
1.60A20.00
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.
5Z0G_B_DAHB98_0
(MELC
TYROSINASE)		Levodopa5 / 11
ILE A 286
HIS A 273
VAL A 166
SER A 115
ASP A 303
1.58A19.63
16.67
None
OCS  A 112 ( 3.8A)
None
OCS  A 112 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTI_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		Levofloxacin4 / 5
SER B 310
GLY B 202
THR A 159
GLU B 204
1.63A21.57
21.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXM_A_IMNA2002_1
(SERUM ALBUMIN)		Indomethacin5 / 11
ARG A 141
LEU A 121
ILE A 152
LEU A 153
TYR A 155
1.61A18.61
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.
3A50_E_VD3E2001_1
(VITAMIN D
HYDROXYLASE)		Cholecalciferol5 / 12
THR B  91
LEU B 118
LEU B 153
ILE B 152
THR B 169
1.55A20.33
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.
1WOP_A_FFOA2888_0
(AMINOMETHYLTRANSFERA
SE)		Levoleucovorin5 / 10
LEU B 121
ILE B 152
GLU A  78
LEU B 174
MET B 170
1.63A21.65
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.
1HK3_A_T44A3004_1
(SERUM ALBUMIN)		Levothyroxine4 / 7
PHE B 128
VAL B 206
MET B 207
LEU B 124
1.16A18.61
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.
1CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 10
ALA A  87
ALA A 154
LEU A 173
VAL A 117
TYR A 113
1.47A18.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4E_A_IPHA906_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 5
PHE A 128
VAL A 126
ALA A 177
PHE A 242
1.66A17.40
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.
5J2T_C_VLBC503_2
(TUBULIN ALPHA-1B
CHAIN)		Vinblastine5 / 12
LEU A 291
ALA A 142
PHE A  96
GLY A 288
ILE A 286
1.33A22.22
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.
4KLR_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 8
LEU B 186
SER A  86
VAL B 203
GLY B 202
1.28A20.31
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.
3HEG_A_BAXA1_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		Sorafenib4 / 6
VAL A  99
ILE A 105
ILE A 286
LEU A 102
1.31A23.40
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.
4WKQ_A_IREA1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib6 / 12
LEU A  81
LEU A  37
THR A  35
LEU A  59
LEU A  65
THR A  10
1.75A20.87
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.
3V81_A_NVPA901_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		Nevirapine4 / 8
LEU B 200
VAL B 206
TYR B 208
LEU B 186
1.35A20.25
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.
1RJ6_A_AZMA400_1
(CARBONIC ANHYDRASE
XIV)		Acetazolamide5 / 10
HIS A 172
HIS B 172
LEU B 133
LEU B 174
THR B 171
1.51A20.12
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.
4WG0_B_CHDB102_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		Cholic Acid5 / 11
LEU B 217
LEU B 235
GLU A 162
GLU B 204
ALA B 205
1.38A3.95
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.
1JZS_A_MRCA1301_1
(ISOLEUCYL-TRNA
SYNTHETASE)		Mupirocin5 / 11
HIS B 172
SER A 246
GLY B 164
LEU B 153
ILE B 152
1.58A17.60
None
None
P85  B 902 ( 3.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_B_ACRB1421_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		Acarbose4 / 6
TYR A 265
GLU A 251
GLY A 267
GLY A 272
1.16A13.69
P85  A 902 (-3.1A)
None
CSO  A 271 ( 3.6A)
CSO  A 271 ( 2.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7C_A_HLTA4001_1
(SERUM ALBUMIN)		Halothane4 / 5
ARG B 184
LYS B 183
ALA B 182
GLY B 202
1.57A18.61
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.
3MDT_B_VORB506_1
(CHOLESTEROL
24-HYDROXYLASE)		Voriconazole6 / 11
TYR B 274
VAL B 166
ILE B 286
ALA B 120
ALA B 262
THR B 278
1.79A21.48
P85  B 902 (-4.4A)
None
None
None
None
DMS  B 904 ( 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.
4MI4_B_SPMB201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		Spermine4 / 7
ASN A 129
GLU A 180
GLU B  78
ARG B  66
1.78A22.56
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.
3JUS_A_ECNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Econazole5 / 8
LEU A 212
GLY A 257
ALA A 279
THR A 278
ILE A 277
1.78A21.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_A_CVIA301_0
(REGULATORY PROTEIN
TETR)		Gentian Violet5 / 12
ALA B 154
SER B 156
GLU B 168
LEU B 173
ASP B 165
1.50A18.32
None
None
DMS  B 906 ( 3.4A)
None
P85  B 902 (-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.
6H1L_A_FJQA501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		Tioconazole5 / 10
ALA A 132
LEU A 133
ALA A 145
THR A  91
ALA A 150
1.36A22.15
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.
5Y2O_A_8N6A501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Pioglitazone5 / 12
PHE B 148
CYH B 149
TYR B  84
LEU B  88
LEU B 133
1.68A21.83
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.
1S8F_B_BEZB1503_0
(RAS-RELATED PROTEIN
RAB-9A)		Benzoic Acid4 / 6
VAL A 206
GLU A 204
LEU A 179
ARG B  83
1.51A20.13
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.
1PW7_A_RABA645_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		Vidarabine5 / 10
GLY B 202
GLU B 204
GLU A 162
SER A  79
ASP A  77
1.65A21.18
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.
5OV9_B_CVIB602_0
(ACETYLCHOLINESTERASE)		Gentian Violet4 / 8
THR B 219
TYR B 234
THR B 313
VAL B 185
1.31A19.42
None
None
NA  B 903 (-3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OXT_A_SAMA300_1
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		S-Adenosylmethionine3 / 3
SER B  79
HIS B 172
ASP B 165
1.19A20.85
DMS  B 905 ( 4.7A)
None
P85  B 902 (-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.
3UAW_A_ADNA236_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		Adenosine6 / 11
GLY B 202
VAL B 203
GLU B 204
GLU A 162
SER A  79
ASP A  77
1.72A21.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G6S_C_RAUC400_1
(IMINE REDUCTASE)		Rasagiline5 / 12
GLN A 233
GLY A 220
VAL A 185
LEU A 217
TYR A 208
1.70A21.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BBS_A_BZ1A302_1
(CARBONIC ANHYDRASE 2)		Brinzolamide5 / 12
HIS B  90
ILE A 223
LEU A 186
THR A 197
THR A 198
1.62A19.23
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.
5BXN_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
HIS B 176
THR A 201
THR B  75
GLY B  82
ALA B 154
1.66A23.29
18.81
None
DMS  B 905 (-2.1A)
None
DMS  B 905 (-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.
4Z4G_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 4
PHE A 128
VAL A 126
ALA A 177
PHE A 242
1.65A17.40
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.
2VCV_D_ASDD1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		4-Androstenedione5 / 9
LEU B 153
LEU B 173
LEU B 133
ALA B 136
PHE B 148
1.55A21.30
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.
6J20_A_GBQA1201_1
(SUBSTANCE-P
RECEPTOR,ENDOLYSIN)		Aprepitant4 / 7
ILE A 152
GLU A 168
VAL A 117
TRP A  94
1.18A19.91
None
DMS  A 903 (-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.
3WIP_G_ACHG301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		Acetylcholine4 / 8
TYR A 274
TYR A 113
LEU A 173
MET A 170
1.63A19.02
P85  A 902 (-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.
5BTA_H_MFXH101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		Moxifloxacin4 / 6
ARG B 285
GLY B 299
THR B 266
GLU B 264
1.41A21.57
21.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA2_A_SCKA901_1
(ACETYLCHOLINESTERASE)		Succinylcholine4 / 8
TYR A 274
ASP A 165
TYR A 265
TYR B 269
1.42A19.37
P85  A 902 (-4.2A)
P85  A 902 (-3.4A)
P85  A 902 (-3.1A)
P85  A 902 (-2.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D91_A_REMA350_2
(RENIN)		Remikiren4 / 5
ALA A 120
ALA A 279
TYR A 284
MET A 294
1.51A22.74
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.
1TW4_A_CHDA131_0
(FATTY ACID-BINDING
PROTEIN)		Cholic Acid5 / 11
THR B 169
LEU B 173
VAL B 126
PHE B 148
GLN B 123
1.49A17.30
None
None
None
None
DMS  B 904 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LXF_C_BEPC92_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Bepridil5 / 12
PHE B 148
ILE B 152
LEU B 173
MET B 170
CYH B 261
1.46A13.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C12_F_SPMF1433_1
(NITROALKANE OXIDASE)		Spermine5 / 11
MET A 170
LEU A 121
VAL A 243
SER A 241
LEU A 124
1.75A22.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FBY_A_9CRA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ALA A 132
ALA A 130
GLN A 134
PHE A 128
HIS A 172
1.50A22.53
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.
4QVL_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
HIS B 176
THR A 201
THR B  75
GLY B  82
ALA B 154
1.66A22.98
18.81
None
DMS  B 905 (-2.1A)
None
DMS  B 905 (-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.
3JAF_A_IVMA503_0
(GLYCINE RECEPTOR
SUBUNIT ALPHAZ1)		Ivermectin6 / 12
THR B 103
VAL B 126
ALA B 120
LEU B 119
LEU B 133
ILE B 152
1.65A20.94
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.
5GTR_A_ESTA601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 12
LEU A  65
ALA A  69
LEU A  81
LEU A  59
LEU A  76
1.46A21.91
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.
5U4S_A_BEZA301_0
(PUTATIVE SHORT CHAIN
DEHYDROGENASE)		Benzoic Acid4 / 7
SER B 104
ILE B 286
LEU B 119
LEU B 118
1.49A22.15
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.
4EYS_A_ACTA402_0
(MCCC FAMILY PROTEIN)		Acetic acid4 / 6
SER A 116
ASP A 287
ARG A 285
GLU A 264
1.46A20.54
OCS  A 112 ( 3.6A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2H21_B_SAMB802_0
(RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E)		S-Adenosylmethionine5 / 11
GLU B 204
GLY B 202
LEU B 179
ASN A 157
TYR A 155
1.61A20.27
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.
4F3T_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
LEU A 133
TYR A  72
LEU A 151
TYR A 155
1.59A17.40
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.
3TJ7_A_ACTA604_0
(GBAA_1210 PROTEIN)		Acetic acid4 / 6
VAL A 160
HIS A  90
SER A  86
THR A 159
1.34A20.94
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.
1ME7_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		Mycophenolic acid5 / 8
SER A 115
SER A 104
ILE A 286
GLY A 100
GLY A 143
1.42A19.54
OCS  A 112 ( 4.3A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JAF_A_IVMA503_0
(GLYCINE RECEPTOR
SUBUNIT ALPHAZ1)		Ivermectin5 / 12
THR A 103
VAL A 126
ALA A 120
LEU A 119
LEU A 133
1.23A20.94
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.
2EIK_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 8
LEU A 124
PHE A 305
MET A 170
THR A 171
LEU A 174
1.40A19.88
12.34
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		Sitagliptin3 / 3
ARG A  66
SER A  86
TYR A  84
1.40A17.73
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.
5AXD_A_RBVA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Ribavirin3 / 3
THR B 171
HIS A  90
LEU A 153
1.30A20.95
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.
3S8P_A_SAMA500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		S-Adenosylmethionine3 / 3
HIS A  74
SER A  67
GLU A  71
1.30A20.97
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.
6HCO_A_FY5A1003_0
(ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2)		Estrone sulfate5 / 11
THR B 171
ASN A 157
PHE B 242
VAL B 206
MET B 244
1.74A19.34
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.
4X1G_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		Ethinyl Estradiol5 / 12
LEU B 153
LEU B 114
HIS B 172
LEU B 173
ILE B 152
1.30A22.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJG_A_NCTA501_1
(CYTOCHROME P450 2A13)		Nicotine4 / 7
ASN B 147
PHE B 148
ALA B 145
THR B 103
1.12A21.09
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.
2BR4_B_SAMB301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine5 / 12
GLY A 143
TYR A 138
ARG A 141
ASP A 144
ALA A 145
1.77A18.33
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.
1ZLQ_B_EDTB1511_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		Edetic Acid4 / 8
ARG B 167
ARG A 167
TYR A 274
THR A 302
1.50A22.07
DMS  A 903 ( 3.7A)
DMS  B 906 (-3.4A)
P85  A 902 (-4.2A)
P85  A 902 (-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.
5NWU_A_ACAA18_1
(WTFP-TAG,GP41)		Aminocaproic Acid5 / 12
ALA B 120
LYS B 127
ASN B 178
GLN B 134
LEU B 133
1.55A9.26
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.
4D33_A_ACTA860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		Acetic acid4 / 5
GLY A 288
ILE A 105
TRP A 107
SER A 115
1.35A20.92
None
None
OCS  A 112 ( 4.5A)
OCS  A 112 ( 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.
3DAZ_A_MZMA263_1
(CARBONIC ANHYDRASE 2)		Methazolamide5 / 10
HIS A 172
HIS B 172
PHE B 128
LEU B 174
THR B 171
1.57A19.23
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.
3I9J_B_NCAB302_0
(ADP-RIBOSYL CYCLASE)		Nicotinamide4 / 6
LEU A  65
GLU A  68
ASN A  16
PHE A  57
1.63A20.12
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.
5ZJI_A_PQNA844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 10
PHE B  80
GLY B  82
ALA B 150
LEU B 151
PHE B 242
1.66A17.25
8.52
None
DMS  B 905 (-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.
3QXY_A_SAMA6734_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		S-Adenosylmethionine5 / 12
ALA B  69
ALA B 154
TYR B  84
HIS B 176
TYR B 155
1.54A22.20
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.
1AZM_A_AZMA262_1
(CARBONIC ANHYDRASE I)		Acetazolamide4 / 8
HIS A 172
HIS B 172
LEU B 174
THR B 171
1.40A21.23
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.
4Z4D_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 5
PHE A 128
VAL A 126
ALA A 177
PHE A 242
1.67A17.40
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.
3LXE_A_TORA262_1
(CARBONIC ANHYDRASE 1)		Topiramate5 / 12
PHE B 148
HIS B 172
VAL B 117
LEU B 174
THR B 171
1.60A21.23
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.
4DA7_A_AC2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		Aciclovir5 / 10
GLY B 202
VAL B 203
GLU B 204
GLU A 162
SER A  79
1.55A23.15
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.
3DCJ_B_THHB401_0
(PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN)		Levomefolic acid5 / 8
SER B 116
ASN B 263
THR B 266
VAL B 166
GLY B 164
1.68A21.45
OCS  B 112 ( 3.5A)
None
None
None
P85  B 902 ( 3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A 124
MET A 170
THR A 171
LEU A 174
1.07A19.88
12.34
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.
3FI0_B_TRPB1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		L-Tryptophan4 / 8
VAL B 185
ILE B 315
VAL B 189
GLN B 195
1.06A20.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TWP_A_SALA404_1
(ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE)		Salicylic acid4 / 7
ASN B  89
TYR B  84
ARG B  83
ALA B 150
1.62A20.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0J_B_DAHB98_0
(MELC
TYROSINASE)		Levodopa5 / 11
ILE A 286
HIS A 273
VAL A 166
SER A 115
ASP A 303
1.55A19.63
16.67
None
OCS  A 112 ( 3.8A)
None
OCS  A 112 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJO_A_EAAA211_1
(GLUTATHIONE
S-TRANSFERASE P)		Etacrynic acid4 / 8
VAL A 221
VAL A 189
GLN A 195
GLY A 220
1.15A22.12
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.
2KCE_A_D16A566_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 12
GLU B 168
LEU A 174
ASP A 303
VAL A 117
ALA A 120
1.60A21.01
DMS  B 906 ( 3.4A)
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.
5BYJ_A_OQRA302_0
(SULFOTRANSFERASE)		Oxamniquine5 / 12
PHE A 305
LEU A 102
GLY A 164
MET A 170
THR A 169
1.47A21.43
None
None
DMS  A 903 (-3.0A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XPR_A_K86A1201_1
(ENDOTHELIN B
RECEPTOR,ENDOLYSIN,E
NDOTHELIN B RECEPTOR)		Bosentan5 / 12
GLN A 233
VAL A 188
LYS B 158
ILE A 223
ALA A 231
1.78A17.72
None
None
DMS  B 906 (-2.9A)
None
ZN  A 901 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KKZ_B_SAMB302_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		S-Adenosylmethionine5 / 12
GLY B  82
GLY A 202
LEU A 200
GLU B  78
ASN B 157
1.49A23.95
DMS  B 905 (-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.
6JNH_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		Vitamin C4 / 7
GLY B 161
THR B 159
HIS B  90
SER B  86
1.33A19.75
None
None
None
DMS  B 905 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0W_B_SAMB501_1
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 5
TYR A  84
SER A  86
ALA A  87
THR A  91
1.49A21.36
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.
2YOE_C_FL7C1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Flurazepam4 / 8
GLY A 288
ILE A 152
VAL A 160
SER A 104
1.23A20.63
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.
1PK7_C_ADNC1247_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		Adenosine6 / 10
GLY B 202
VAL B 203
GLU B 204
GLU A 162
SER A  79
ASP A  77
1.70A19.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UW6_A_NCTA1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		Nicotine4 / 8
TYR A 274
TYR A 113
LEU A 173
MET A 170
1.59A19.34
P85  A 902 (-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.
3G2O_A_SAMA500_1
(PCZA361.24)		S-Adenosylmethionine3 / 3
ARG B  66
GLU A  71
ASP A  63
1.51A24.28
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.
3MBG_A_ACTA207_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		Acetic acid4 / 7
LEU B 179
ARG A  83
THR B 201
ALA B 205
1.39A16.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P2K_C_SAMC6735_1
(16S RRNA METHYLASE)		S-Adenosylmethionine4 / 5
ASN B 263
GLU A 204
THR B 159
SER B 116
1.78A21.47
None
None
None
OCS  B 112 ( 3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HNW_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
ASP B 165
LEU B 254
PHE B 305
THR B 278
ARG B 285
1.45A21.67
P85  B 902 (-3.8A)
DMS  B 907 (-4.3A)
None
DMS  B 904 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		Fludarabine6 / 11
GLY B 202
VAL B 203
GLU B 204
GLU A 162
SER A  79
ASP A  77
1.70A19.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MB9_A_NMYA303_0
(AAC(3)-IIIB PROTEIN)		Framycetin5 / 10
TYR A 155
ASP B  77
THR B  75
HIS A 176
GLU A 180
1.72A23.95
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.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		Gabapentin4 / 8
TYR A 137
GLY A 143
ALA A 140
ALA A 145
0.99A23.03
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.
4WNW_A_RTZA602_1
(CYTOCHROME P450 2D6)		Thioridazine5 / 12
LEU B 124
GLN B 123
VAL B 126
VAL B 166
PHE B 305
1.26A21.31
None
DMS  B 904 ( 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.
1Z9Y_A_FUNA500_1
(CARBONIC ANHYDRASE
II)		Furosemide5 / 12
VAL B 206
PHE B 242
VAL B 126
LEU B 174
THR B 171
1.45A18.93
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.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)		Parecoxib3 / 3
PRO A 131
GLU A  68
TYR A  72
1.00A21.20
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.
5M66_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 4
GLN A  20
THR A  19
GLU A  52
LEU A  37
1.39A21.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4W5Q_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 4
PHE A 128
VAL A 126
ALA A 177
PHE A 242
1.60A17.40
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.
1MX1_F_THAF6_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 12
VAL A 206
LEU A 179
LEU A 173
MET A 244
PHE A 305
1.31A20.50
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.
5Y9M_A_NIOA401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		Niacin4 / 8
LEU B 212
VAL B 301
VAL B 304
PHE B 259
1.23A20.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AA6_B_STRB402_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
LEU A 119
ALA A 120
GLN A 123
LEU A 254
THR A 302
1.69A19.44
None
None
None
None
P85  A 902 (-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.
1N13_H_AG2H7012_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		Agmatine4 / 6
ARG A  83
ASP A  77
LEU B 179
GLY B 202
1.37A15.26
10.17
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.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		Aciclovir5 / 11
GLY A 202
VAL A 203
GLU B 162
SER B  79
ASP B  77
1.66A19.14
None
None
None
DMS  B 905 ( 4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I6V_C_RFPC1640_1
(DNA-DIRECTED RNA
POLYMERASE)		Rifampicin5 / 12
GLN A 122
LEU A 118
ASP A 303
SER A 115
GLU A 264
1.78A13.32
None
None
None
OCS  A 112 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z69_A_DIFA1006_1
(SERUM ALBUMIN)		Diclofenac4 / 7
ILE A 286
LEU A 119
TYR A 284
GLY A 101
1.31A18.61
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.
5O96_E_SAME501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 9
LEU A 118
GLY A 143
SER A 116
VAL A  99
LEU A 102
1.59A22.49
None
None
OCS  A 112 ( 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.
5OGC_B_TA1B601_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
ASP B 165
LEU B 254
PHE B 305
THR B 278
ARG B 285
1.55A21.84
P85  B 902 (-3.8A)
DMS  B 907 (-4.3A)
None
DMS  B 904 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YLP_A_TESA1921_1
(ANDROGEN RECEPTOR)		Testosterone5 / 11
ASN B 147
LEU B 133
MET B 170
LEU B 114
THR B  91
1.72A21.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MJ8_A_SPMA201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		Spermine4 / 8
GLU B 264
TYR B 252
GLU B 251
TYR B 284
1.60A22.43
None
DMS  B 907 (-4.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RTP_A_SAMA301_0
(DNA ADENINE
METHYLASE)		S-Adenosylmethionine5 / 12
GLY A 143
ALA A 142
ILE A 105
SER A 115
PRO A  97
1.65A22.13
None
None
None
OCS  A 112 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DH0_A_SAMA220_1
(SAM DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine4 / 8
ARG B 167
TYR A 269
GLN B 233
GLU A 162
1.70A20.49
DMS  A 903 ( 3.7A)
P85  A 902 ( 3.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5J2T_C_VLBC503_1
(TUBULIN BETA-2B
CHAIN
TUBULIN ALPHA-1B
CHAIN)		Vinblastine5 / 9
ASP A 287
PHE A 305
THR A 302
TYR A 297
LEU A 254
1.37A21.84
None
None
P85  A 902 (-2.8A)
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.
1S9P_A_DESA459_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		Diethylstilbestrol5 / 12
LEU B 102
MET B 170
LEU B 173
TYR B 137
LEU B 124
1.13A22.39
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.
4IJI_H_BEZH501_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF)		Benzoic Acid4 / 7
ASN A 216
SER A 213
VAL A 304
TYR A 306
1.60A19.57
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.
3IJD_A_C2FA314_0
(UNCHARACTERIZED
PROTEIN)		Levomefolic acid5 / 12
THR A 169
VAL B 203
GLY B 202
LEU B 179
GLU A 168
1.32A18.64
None
None
None
None
DMS  A 903 (-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.
3BVB_B_017B401_2
(PROTEASE
(RETROPEPSIN))		Darunavir5 / 12
ASN A  89
GLY A  39
ASP A  41
GLY A  82
VAL A 160
1.19A14.75
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.
2PYM_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP A 109
ASN A 111
THR A 169
1.07A16.34
None
OCS  A 112 ( 3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXQ_A_IMNA2001_1
(SERUM ALBUMIN)		Indomethacin5 / 10
ALA B 130
PHE B 128
ALA B 177
LEU B 179
LEU B 174
1.42A18.61
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.
4P3R_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
ASP A 303
ARG A 184
THR A 302
1.44A20.63
None
None
P85  A 902 (-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.
2QO5_A_CHDA130_0
(LIVER-BASIC FATTY
ACID BINDING PROTEIN)		Cholic Acid5 / 9
LEU A 254
VAL A 304
ALA A 262
MET A 294
ARG A 285
1.37A17.12
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.
5L2I_A_LQQA900_1
(CYCLIN-DEPENDENT
KINASE 6)		Palbociclib5 / 12
GLY A  29
THR A  10
LEU A  37
ALA A  40
ASP A  41
1.33A22.00
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.
5HW4_B_SAMB801_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE I)		S-Adenosylmethionine5 / 11
ILE A 277
CYH A 261
ALA A 262
LEU A 254
GLU A 264
1.30A22.09
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.
4A99_C_MIYC392_1
(TETX2 PROTEIN)		Minocycline5 / 12
PRO B 131
GLU B 135
VAL B 126
GLN B 134
TYR B 137
1.77A19.57
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.
5ZCP_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A 124
MET A 170
THR A 171
LEU A 174
1.03A19.88
12.34
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.
5OTR_A_ACTA402_0
(CASEIN KINASE II
SUBUNIT ALPHA)		Acetic acid4 / 5
TYR A 252
VAL A 304
ASP A 303
ALA A 262
1.25A20.65
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.
4Q15_A_HFGA803_0
(PROLINE--TRNA LIGASE)		Halofuginone5 / 12
LEU A 254
GLU A 264
VAL A 301
THR A 278
GLY A 100
1.75A19.57
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.
5L1F_C_6ZPC902_1
(GLUTAMATE RECEPTOR 2)		Perampanel4 / 7
SER A 115
PRO A  97
PHE A  96
ASN A 111
1.50A18.50
OCS  A 112 ( 4.3A)
None
None
OCS  A 112 ( 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.
5A06_A_SORA1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		Sorbitol4 / 7
ILE B 277
LYS B 253
LEU B 254
GLU B 296
1.36A21.53
None
None
DMS  B 907 (-4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZV_A_AZMA263_1
(CARBONIC ANHYDRASE
13)		Acetazolamide5 / 12
HIS A 172
HIS B 172
PHE B 128
LEU B 174
VAL B 203
1.57A19.70
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.
3G0F_B_B49B9001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR)		Sunitinib5 / 10
LEU A 121
VAL A 117
THR A 169
LEU A 133
PHE A 148
1.60A22.93
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.
1N13_J_AG2J7013_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 7
ASP A  77
LEU B 179
GLY B 202
ARG A  83
1.39A10.17
15.26
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.
1FM6_U_9CRU502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ALA A  87
LEU A 153
ALA A 154
VAL B 226
ILE B 223
1.33A22.53
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.
3RC0_B_SAMB480_0
(N-LYSINE
METHYLTRANSFERASE
SETD6)		S-Adenosylmethionine5 / 12
ALA B  69
ALA B 154
TYR B  84
HIS B 176
TYR B 155
1.56A22.20
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.
5VLM_C_CVIC301_1
(REGULATORY PROTEIN
TETR)		Gentian Violet4 / 7
GLN A 122
ILE A 152
GLN A 175
TYR A 113
1.49A18.32
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.
3HKU_A_TORA300_2
(CARBONIC ANHYDRASE 2)		Topiramate3 / 3
GLU A  68
HIS A  18
THR A  64
1.06A19.23
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.
5HW4_A_SAMA801_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE I)		S-Adenosylmethionine5 / 12
ILE A 277
CYH A 261
ALA A 262
LEU A 254
GLU A 264
1.29A22.09
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.
4MI4_C_SPMC201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		Spermine4 / 7
ASN B 157
GLU B 168
GLU A 204
GLU B 162
1.60A22.56
None
DMS  B 906 ( 3.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZSB_A_AZMA264_1
(CARBONIC ANHYDRASE
II)		Acetazolamide5 / 12
HIS A 172
HIS B 172
PHE B 128
LEU B 174
THR B 171
1.56A19.06
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.
3HLW_B_CE3B302_2
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		Cefotaxime3 / 3
CYH B 227
PRO B 224
ASP B 230
1.28A21.82
 ZN  B 901 (-2.6A)
CSO  A 271 ( 4.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_W_CHDW4060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		Cholic Acid4 / 7
LEU A 124
MET A 170
THR A 171
LEU A 174
0.99A19.88
12.34
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.
1FDU_D_ESTD352_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		Estradiol4 / 6
GLY A  82
LEU A  59
TYR A  36
GLU B 180
1.44A20.26
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.
3EEY_J_SAMJ300_0
(PUTATIVE RRNA
METHYLASE)		S-Adenosylmethionine5 / 12
GLY A 202
HIS B 172
GLN B 175
LEU A 179
THR A 171
1.45A20.37
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.
2HYY_B_STIB600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 6
LEU A 217
VAL A 226
VAL A 188
ILE A 223
1.50A23.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MT1_G_AG2G7003_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 6
ASP A  77
LEU B 179
GLY B 202
ARG A  83
1.37A10.17
15.26
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.
2C8A_A_NCAA1252_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		Nicotinamide4 / 7
SER A 310
SER A 240
GLN A 238
GLU A 239
1.77A21.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F94_F_BFQF9001_1
(FARNESYL DIPHOSPHATE
SYNTHASE)		Ibandronate5 / 12
LEU A 291
THR A 282
LYS A 280
THR A 278
GLN A 123
1.73A22.04
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.
6J20_A_GBQA1201_0
(SUBSTANCE-P
RECEPTOR,ENDOLYSIN)		Aprepitant5 / 12
VAL B 301
THR B 278
ILE B 277
PHE B 305
MET B 244
1.52A19.91
None
DMS  B 904 ( 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.
2X2N_C_X2NC1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		Posaconazole5 / 12
PHE B  80
TYR B  73
ALA B 154
ALA B 150
THR B  91
1.55A20.43
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.
5SXS_B_NIZB806_1
(CATALASE-PEROXIDASE)		Isoniazid5 / 9
ARG B 167
GLU A 162
GLU B 204
GLY A 164
THR A 169
1.50A16.96
DMS  A 903 ( 3.7A)
None
None
DMS  A 903 (-3.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FK8_A_SAMA302_1
(METHOXY MYCOLIC ACID
SYNTHASE 4)		S-Adenosylmethionine3 / 3
SER A 115
THR A 278
GLN A 123
1.04A23.37
OCS  A 112 ( 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.
3EEY_F_SAMF300_0
(PUTATIVE RRNA
METHYLASE)		S-Adenosylmethionine5 / 12
GLY A 202
HIS B 172
GLN B 175
LEU A 179
THR A 171
1.53A20.37
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.
1TDR_B_MTXB170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 10
ALA A 146
LEU A 118
LEU A 173
TYR A  84
THR A  91
1.70A19.30
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.
6F3M_A_ADNA502_2
(-)		Adenosine4 / 4
GLN A 233
THR A 232
THR A 313
LEU A 217
1.49A20.74
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.
3U9F_D_CLMD221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 12
PHE A  80
TYR A  84
SER A 156
LEU A 173
ALA A 136
1.62A21.65
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.
4B3A_A_TACA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		Tetracycline5 / 12
LEU B 124
SER B 241
PHE B 305
ARG B 167
VAL B 206
1.76A19.44
None
None
None
DMS  A 903 ( 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.
3OCT_A_1N1A663_1
(TYROSINE-PROTEIN
KINASE BTK)		Dasatinib5 / 12
LEU A 151
THR A  75
TYR A  72
LEU A  81
SER A  79
1.41A22.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6JOG_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		Vitamin C4 / 6
GLY B 161
THR B 159
HIS B  90
SER B  86
1.33A19.75
None
None
None
DMS  B 905 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid5 / 8
LEU A 124
PHE A 305
MET A 170
THR A 171
LEU A 174
1.40A19.88
12.34
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.
5Y2T_A_8LXA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Lobeglitazone5 / 12
PHE B 148
CYH B 149
TYR B  84
LEU B  88
LEU B 133
1.72A21.83
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.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		Cefixime3 / 3
GLY B 164
GLU B 168
THR B 169
0.96A20.67
P85  B 902 ( 3.5A)
DMS  B 906 ( 3.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZOW_A_CLMA500_0
(MULTIDRUG
TRANSPORTER MDFA)		Chloramphenicol5 / 11
TYR A  72
MET A  85
LEU A  88
LEU A 151
LEU A  17
1.25A21.22
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.
3RAE_H_LFXH101_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		Levofloxacin4 / 5
SER B 246
GLY B 164
GLU A 204
GLU B 162
1.58A19.15
18.88
None
P85  B 902 ( 3.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DAN_B_2FAB301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		Fludarabine6 / 12
GLY B 202
VAL B 203
GLU B 204
GLU A 162
SER A  79
ASP A  77
1.62A23.15
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.
5YCP_A_BRLA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone5 / 12
PHE B 148
CYH B 149
LEU B  88
LEU B 133
TYR B 155
1.68A22.56
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.
4MMA_A_CXXA603_1
(TRANSPORTER)		Clomipramine5 / 11
TYR A  84
ALA A  69
TYR A  72
PHE A  57
THR A  11
1.48A22.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PWD_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Nevirapine4 / 8
LEU B 200
VAL B 206
TYR B 208
LEU B 186
1.33A20.25
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.
4Z4C_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 5
PHE A 128
VAL A 126
ALA A 177
PHE A 242
1.65A17.40
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.
4QZT_C_RTLC201_0
(RETINOL-BINDING
PROTEIN 2)		Vitamin A5 / 12
ILE B 152
ALA B 145
GLN B 122
THR B 278
SER B 115
1.76A18.59
None
None
None
DMS  B 904 ( 4.3A)
OCS  B 112 ( 4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0K_B_DAHB98_0
(MELC
TYROSINASE)		Levodopa5 / 11
ILE A 286
HIS A 273
VAL A 166
SER A 115
ASP A 303
1.57A19.63
16.67
None
OCS  A 112 ( 3.8A)
None
OCS  A 112 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XK8_A_PQNA844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		Phylloquinone4 / 7
SER A  86
ARG A  83
ALA A 154
LEU A 153
1.56A17.16
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.
6CFQ_B_NIZB809_1
(CATALASE-PEROXIDASE)		Isoniazid5 / 9
ARG B 167
GLU A 162
GLU B 204
GLY A 164
THR A 169
1.50A16.96
DMS  A 903 ( 3.7A)
None
None
DMS  A 903 (-3.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJV_A_RITA500_1
(PROTEASE)		Ritonavir5 / 12
ARG B 167
ASP B 287
GLY B 272
PRO B 249
THR B 302
1.27A15.36
DMS  A 903 ( 3.7A)
None
None
P85  B 902 (-4.4A)
P85  B 902 (-3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IIU_A_RTLA176_0
(PLASMA
RETINOL-BINDING
PROTEIN)		Vitamin A5 / 11
LEU B 153
LEU B 151
ALA B 130
LEU B 173
ARG B  83
1.34A21.79
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.
6FGC_A_ACTA810_0
(GEPHYRIN)		Acetic acid3 / 3
LEU B  81
SER B  79
PHE B  80
0.52A21.52
None
DMS  B 905 ( 4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LA0_B_198B601_1
(SERUM ALBUMIN)		Bicalutamide5 / 9
LEU B 200
MET B 245
ALA B 247
GLU A 162
LEU B 217
1.73A18.61
None
None
P85  A 902 ( 4.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HYY_A_STIA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 6
LEU A 217
VAL A 226
VAL A 188
ILE A 223
1.49A23.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A1O_B_CAMB2422_0
(CYTOCHROME P450-CAM)		Camphor5 / 9
TYR A 208
LEU A 217
VAL A 221
GLY A 220
ILE A 223
1.62A21.44
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.
5V1T_A_SAMA605_0
(RADICAL SAM)		S-Adenosylmethionine5 / 12
ARG A 167
TYR B 208
SER B 246
THR B 211
GLU B 168
1.52A19.08
DMS  B 906 (-3.4A)
None
None
None
DMS  B 906 ( 3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2H21_A_SAMA801_0
(RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E)		S-Adenosylmethionine5 / 10
GLU B 204
GLY B 202
LEU B 179
ASN A 157
TYR A 155
1.61A20.27
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.
3EEY_C_SAMC300_0
(PUTATIVE RRNA
METHYLASE)		S-Adenosylmethionine5 / 12
GLY A 202
HIS B 172
GLN B 175
LEU A 179
THR A 171
1.41A20.37
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.
3E22_B_LOCB700_2
(TUBULIN BETA-2B
CHAIN)		Colchicine6 / 11
CYH A 149
LEU A 151
ALA A 150
LEU A  88
ASN A  89
LYS A  93
1.68A21.84
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.
6GNG_B_QPSB601_2
(-)		Acarbose5 / 12
GLY B 100
GLY B 101
LEU B 102
GLY B 257
HIS B 276
1.63A18.27
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.
2WX2_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		Fluconazole5 / 8
TYR B  72
PHE B  80
TYR B  73
ALA B 154
ALA B 150
1.52A21.29
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.
2ZZA_B_FOLB164_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 11
ALA A 146
LEU A 118
LEU A 173
TYR A  84
THR A  91
1.75A19.44
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.
4W5T_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 4
PHE A 128
VAL A 126
ALA A 177
PHE A 242
1.67A17.40
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.
5HYR_B_ESTB601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU A  65
ALA A  69
LEU A  81
LEU A  59
LEU A  76
1.44A23.15
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.
5N5D_A_SAMA306_0
(METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ALA B 154
GLY A 202
TYR B 155
ALA A 182
ALA A 205
1.60A21.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T86_A_CAMA1422_0
(CYTOCHROME P450-CAM)		Camphor4 / 8
PHE A  96
THR A 103
THR A  91
LEU A 118
1.21A21.44
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.
1MX1_C_THAC3_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 12
VAL A 206
LEU A 179
LEU A 173
MET A 244
PHE A 305
1.31A20.50
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.
3AOB_C_RFPC2002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		Rifampicin5 / 12
THR B 275
PHE B 259
PHE B 305
GLY B 299
LEU B 212
1.64A14.61
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.
4X1F_A_3WFA501_1
(NUCLEAR RECEPTOR
SUBFAMILY 1 GROUP I
MEMBER 2)		Ethinyl Estradiol5 / 12
LEU B 153
LEU B 114
HIS B 172
LEU B 173
ILE B 152
1.29A22.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KU9_B_SPMB700_1
(POLYAMINE OXIDASE)		Spermine4 / 7
GLU B 168
TYR A 269
GLU A 168
TYR B 269
1.68A20.93
DMS  B 906 ( 3.4A)
P85  A 902 ( 3.1A)
DMS  A 903 (-3.6A)
P85  A 902 (-2.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LOQ_A_ACTA277_0
(UNIVERSAL STRESS
PROTEIN)		Acetic acid3 / 3
ASP B 303
SER B 246
ARG B 167
1.42A21.05
None
None
DMS  A 903 ( 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.
5JKV_A_ASDA602_1
(AROMATASE)		4-Androstenedione5 / 12
PHE B 242
ALA B 262
VAL B 166
LEU B 173
LEU B 121
1.53A19.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V5W_A_8PRA701_1
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)		Paroxetine5 / 12
GLY A  82
ALA B 182
LEU A  59
ASP A  77
ALA A 154
1.36A17.58
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.
4I13_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		Folic Acid3 / 3
ASP A 303
ARG A 184
THR A 302
1.42A20.63
None
None
P85  A 902 (-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.
1X70_B_715B801_2
(DIPEPTIDYL PEPTIDASE
IV)		Sitagliptin3 / 3
PHE A  57
TYR A  73
TYR A  72
1.41A17.73
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.
6C2M_D_SUED1202_0
(NS3 PROTEASE)		Grazoprevir5 / 12
GLN B 123
VAL B 301
GLY B 100
ARG B 285
ALA B 289
1.43A20.87
DMS  B 904 ( 4.4A)
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.
4OK1_A_198A1001_2
(ANDROGEN RECEPTOR)		Bicalutamide4 / 8
LEU A 179
MET A 245
LEU A 124
ILE A 152
1.35A21.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R29_C_SAMC301_0
(UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine5 / 12
SER A  86
GLY A  82
ALA B 182
GLY B 202
GLU B 204
1.49A19.29
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.
2C7V_B_MTXB1272_1
(PTERIDINE REDUCTASE)		Methotrexate5 / 12
SER A  61
PHE A  32
PHE A  56
LEU A  21
GLU A  52
1.63A21.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CAJ_A_EZLA265_1
(CARBONIC ANHYDRASE 2)		Ethoxzolamide5 / 10
HIS A 172
HIS B 172
PHE B 128
LEU B 174
THR B 171
1.59A19.23
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.
1S9P_C_DESC500_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		Diethylstilbestrol5 / 12
CYH A 149
MET A 170
LEU A 173
TYR A 137
ILE A 105
1.22A22.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A50_B_VD3B2001_1
(VITAMIN D
HYDROXYLASE)		Cholecalciferol5 / 11
THR B  91
LEU B 118
LEU B 153
ILE B 152
THR B 169
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.
4XV2_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib5 / 12
LYS B 280
LEU B 291
LEU B 102
THR B 278
GLY B 101
1.23A21.74
None
None
None
DMS  B 904 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6APH_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
GLN B 255
THR B 258
HIS B 276
LEU B 283
1.34A21.37
DMS  B 907 (-4.5A)
DMS  B 907 (-3.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2P2F_B_ACTB653_0
(ACETYL-COENZYME A
SYNTHETASE)		Acetic acid4 / 4
VAL A 189
THR A 232
VAL A 221
GLY A 220
1.74A19.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QT0_A_486A4_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Mifepristone5 / 12
SER B 240
ALA B 205
TYR B 214
LEU B 235
LYS B 218
1.68A22.53
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.
1XOZ_A_CIAA501_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Tadalafil5 / 12
ILE B 286
ILE B 277
PHE B 305
LEU B 124
GLN B 123
1.32A22.11
None
None
None
None
DMS  B 904 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AF0_A_MOAA1526_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		Mycophenolic acid4 / 8
SER A 156
ASN A 157
ARG A  83
GLN A 175
1.04A19.37
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.
5HNZ_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
ASP B 165
LEU B 254
PHE B 305
THR B 278
ARG B 285
1.47A21.84
P85  B 902 (-3.8A)
DMS  B 907 (-4.3A)
None
DMS  B 904 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDQ_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A 124
MET A 170
THR A 171
LEU A 174
0.98A19.88
12.34
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.
1KNY_A_KANA558_1
(KANAMYCIN
NUCLEOTIDYLTRANSFERA
SE)		Kanamycin4 / 7
SER A 246
ASP A 303
GLU A 204
GLU B 162
1.73A20.50
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.
1KT4_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		Vitamin A5 / 12
LEU B  88
LEU B  81
ALA B  69
HIS B  74
TYR B 155
1.56A20.89
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.
5ECO_D_LEUD602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		L-Leucine4 / 7
VAL A  42
TYR A  28
GLU A  52
HIS A  51
1.42A20.14
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.
3S79_A_ASDA601_1
(CYTOCHROME P450 19A1)		4-Androstenedione5 / 12
PHE B 242
ALA B 262
VAL B 166
LEU B 173
LEU B 121
1.53A19.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DJZ_C_GMJC301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Haloperidol6 / 12
MET A 170
ALA A 177
LEU A 173
SER A 104
LEU A 124
ALA A 120
1.62A18.63
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.
4MM4_B_8PRB603_2
(TRANSPORTER)		Paroxetine3 / 3
SER A 246
MET A 209
ASP A 215
1.44A22.35
None
P85  B 902 (-3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)		Erlotinib5 / 12
PHE A  57
ASP A  41
GLY A  39
ASP A  38
ILE A  45
1.38A21.05
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.
4TWD_C_377C401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Memantine4 / 6
ASN A 129
GLU A  71
LEU B  76
PHE A  70
1.71A20.57
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.
1SS4_A_ACTA411_0
(GLYOXALASE FAMILY
PROTEIN)		Acetic acid4 / 5
VAL B 188
THR B 197
GLN B 195
ILE B 315
1.67A19.06
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.
2VE3_A_REAA1445_1
(PUTATIVE CYTOCHROME
P450 120)		Tretinoin5 / 12
ALA B 136
LEU B 151
ALA B 150
THR B  91
GLN B  98
1.32A21.90
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.
4XNX_A_41XA707_1
(TRANSPORTER)		Reboxetine5 / 11
ALA A 142
TYR A 137
GLY A 101
SER A 104
GLY A 143
1.36A18.33
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.
3T3S_A_9PLA1_1
(CYTOCHROME P450 2A13)		Pilocarpine5 / 9
ALA B 136
PHE B  80
ASN B 147
ALA B 150
LEU B 133
1.43A21.09
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.
4KAN_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
GLY B 100
GLY B 101
SER B 104
ILE B 286
THR B 278
1.60A22.03
None
None
None
None
DMS  B 904 ( 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.
3N58_C_ADNC500_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
LEU B 200
GLN B 233
THR B 198
GLU B 204
1.78A20.91
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.
4XI3_B_29SB601_1
(ESTROGEN RECEPTOR)		Bazedoxifene5 / 12
THR A  10
LEU A  59
LEU A  81
GLY A  39
PRO A  34
1.37A22.26
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.
1OQ5_A_CELA701_1
(CARBONIC ANHYDRASE
II)		Celecoxib5 / 12
VAL B 206
PHE B 242
VAL B 126
LEU B 174
THR B 171
1.37A18.93
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.
6BKL_C_EU7C101_0
(MATRIX PROTEIN 2)		Rimantadine5 / 9
ALA B 250
ALA B 247
VAL B 304
SER B 246
GLY B 210
1.57A5.96
None
P85  A 902 ( 4.6A)
None
None
P85  A 902 (-3.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_B_2FAB307_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		Fludarabine5 / 9
GLY B 202
GLU B 204
GLU A 162
SER A  79
ASP A  77
1.65A19.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V7U_B_SAMB1299_1
(5'-FLUORO-5'-DEOXY
ADENOSINE SYNTHETASE)		S-Adenosylmethionine4 / 7
ASP A 303
PHE A 305
ASN A 263
ARG A 167
1.76A22.35
None
None
None
DMS  B 906 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_D_BEZD2385_0
(CES1 PROTEIN)		Benzoic Acid4 / 5
LEU A 174
SER A 241
LEU A 260
LEU A 121
1.40A20.52
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.
5IQB_A_KANA600_1
(BIFUNCTIONAL AAC/APH)		Kanamycin5 / 12
SER B 115
ASN B 111
ASP B 287
TYR B 265
GLU B 264
1.70A22.99
OCS  B 112 ( 4.7A)
OCS  B 112 ( 4.0A)
None
P85  B 902 (-3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BZM_A_MZMA262_1
(CARBONIC ANHYDRASE I)		Methazolamide4 / 8
HIS B 172
HIS A 172
LEU A 174
THR A 171
1.47A21.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y2T_B_8LXB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Lobeglitazone4 / 8
GLU B 180
PHE A  80
MET A  85
LEU A 151
1.44A21.83
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.
5JGL_B_SAMB301_0
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine5 / 12
THR A  43
GLY A  39
ALA A 150
LEU A 151
GLY A  82
1.52A23.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3S_E_9PLE1_1
(CYTOCHROME P450 2A13)		Pilocarpine4 / 8
ASN B 147
PHE B 148
ALA B 145
THR B 103
1.11A21.09
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.
1T86_B_CAMB2422_0
(CYTOCHROME P450-CAM)		Camphor5 / 9
PHE A  96
THR A 103
THR A  91
LEU A 118
ASP A 144
1.69A21.44
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.
5ZCO_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid5 / 8
LEU A 124
PHE A 305
MET A 170
THR A 171
LEU A 174
1.37A19.88
12.34
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.
5KT8_B_NIZB809_1
(CATALASE-PEROXIDASE)		Isoniazid5 / 9
ARG B 167
GLU A 162
GLU B 204
GLY A 164
THR A 169
1.51A17.10
DMS  A 903 ( 3.7A)
None
None
DMS  A 903 (-3.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KAH_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
GLY B 100
GLY B 101
SER B 104
ILE B 286
THR B 278
1.61A22.03
None
None
None
None
DMS  B 904 ( 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.
4MJ8_C_SPMC201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		Spermine4 / 7
ASN B 157
GLU B 168
GLU A 204
GLU B 162
1.61A22.43
None
DMS  B 906 ( 3.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XKK_E_MFXE1100_1
(TOPOISOMERASE IV
DNA)		Moxifloxacin3 / 3
ARG B  83
GLU B 168
SER B  86
1.26A17.44
None
DMS  B 906 ( 3.4A)
DMS  B 905 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YGP_A_PCFA1213_1
(WNT INHIBITORY
FACTOR 1)		Colfosceril palmitate5 / 9
ILE A 105
PHE A 148
PRO A  97
ILE A 286
VAL A 206
1.69A20.12
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.
4D9H_A_ADNA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		Adenosine6 / 11
GLY B 202
VAL B 203
GLU B 204
GLU A 162
SER A  79
ASP A  77
1.68A23.15
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.
3SP9_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA)		Iloprost5 / 12
LEU A 121
CYH A 149
HIS A  90
VAL A 117
ILE A 105
1.66A20.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OTW_A_DB8A1101_2
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3)		Bosutinib3 / 3
LEU A  37
LEU A  65
ASN A  14
1.01A20.90
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.
2PRG_B_BRLB2_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone5 / 12
PHE B 148
CYH B 149
TYR B  84
LEU B  88
LEU B 133
1.64A22.53
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.
5B1B_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A 124
MET A 170
THR A 171
LEU A 174
1.09A19.88
12.34
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.
5ZCP_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid5 / 8
LEU A 124
PHE A 305
MET A 170
THR A 171
LEU A 174
1.41A19.88
12.34
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.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		Bicalutamide5 / 12
PHE A 305
ARG A 167
ALA A 120
GLU A 168
THR A 169
1.55A21.48
None
DMS  B 906 (-3.4A)
None
DMS  A 903 (-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.
6R2E_H_FFOH403_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 12
ASN A  14
ASP A  38
LEU A  37
GLY A  39
ASN A  89
1.28A21.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RXH_A_HSMA7_1
(CATIONIC TRYPSIN)		Histamine4 / 5
ASP B  77
SER B  79
SER B  86
GLY A 202
1.47A20.62
None
DMS  B 905 ( 4.7A)
DMS  B 905 ( 4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A 124
MET A 170
THR A 171
LEU A 174
1.05A19.88
12.34
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.
1DMY_A_AZMA400_1
(MURINE CARBONIC
ANHYDRASE V)		Acetazolamide5 / 11
HIS B  90
VAL A 188
LEU A 186
LEU A 200
THR B 159
1.54A21.62
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.
2QQC_K_AG2K671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		Agmatine4 / 8
ARG A  83
ASP A  77
LEU B 179
GLY B 202
1.34A16.67
9.83
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.
2WEK_A_DIFA1376_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		Diclofenac4 / 8
LEU A  59
LEU A  65
ALA A  69
HIS A  18
1.42A24.04
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.
3GSS_A_EAAA212_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		Etacrynic acid4 / 7
TYR A 269
TYR A 274
THR A 275
GLY A 164
1.39A22.44
P85  A 902 ( 3.1A)
P85  A 902 (-4.2A)
None
DMS  A 903 (-3.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5U4S_B_BEZB301_0
(PUTATIVE SHORT CHAIN
DEHYDROGENASE)		Benzoic Acid4 / 8
SER B 104
ILE B 286
LEU B 119
LEU B 118
1.49A22.15
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.
4R87_I_SPMI202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		Spermine4 / 7
ASN B 157
GLU B 168
GLU A 204
GLU B 162
1.64A22.43
None
DMS  B 906 ( 3.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KI6_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 5
LEU A 133
TYR A  72
LEU A 151
TYR A 155
1.67A17.40
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.
5JH7_B_6K9B503_0
(TUBULIN BETA-2B
CHAIN)		Eribulin5 / 11
VAL A 301
THR A 266
TYR A 252
TYR A 297
LEU A 254
1.62A21.84
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.
6F7L_B_ACTB505_0
(AMINE OXIDASE LKCE)		Acetic acid3 / 3
HIS B  90
ASN B  89
LEU B  88
0.91A22.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK7_A_ADNA1245_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		Adenosine5 / 9
GLY B 202
GLU B 204
GLU A 162
SER A  79
ASP A  77
1.59A19.14
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.
3JZJ_A_ACRA405_1
(ACARBOSE/MALTOSE
BINDING PROTEIN GACH)		Acarbose5 / 12
GLU B 264
GLY B 164
ALA B 108
ASP B 287
GLY B 288
1.55A21.50
None
P85  B 902 ( 3.5A)
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.
3ABK_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 8
LEU A 124
PHE A 305
MET A 170
THR A 171
LEU A 174
1.39A19.88
12.34
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.
5KSG_B_NIZB809_1
(CATALASE-PEROXIDASE)		Isoniazid5 / 9
ARG B 167
GLU A 162
GLU B 204
GLY A 164
THR A 169
1.50A16.96
DMS  A 903 ( 3.7A)
None
None
DMS  A 903 (-3.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q07_A_WPPA300_2
(BETA-LACTAMASE)		Piperacillin4 / 5
TYR A 252
PRO A 300
THR A 275
THR A 258
1.79A21.82
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.
5YSI_A_NCAA1001_0
(UBIQUITINATING/DEUBI
QUITINATING ENZYME
SDEA)		Nicotinamide4 / 6
GLY A 202
SER B 156
THR A 171
VAL A 203
1.71A18.73
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.
5SXQ_A_NIZA808_1
(CATALASE-PEROXIDASE)		Isoniazid4 / 8
ARG A 167
GLU B 162
GLY B 164
THR B 169
1.09A16.96
DMS  B 906 (-3.4A)
None
P85  B 902 ( 3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BM5_A_SAMA1301_0
(METHIONINE SYNTHASE)		S-Adenosylmethionine5 / 11
PRO B 224
PRO A 248
TYR A 265
PRO A 300
ALA A 250
1.53A22.86
CSO  A 271 ( 4.8A)
P85  A 902 (-3.9A)
P85  A 902 (-3.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FCT_A_C2FA402_0
(THYMIDYLATE SYNTHASE)		Levomefolic acid5 / 11
ILE B 152
ASN B 147
LEU B  88
TYR B  73
ALA B 132
1.55A21.99
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.
6GBN_B_ADNB501_2
(-)		Adenosine4 / 5
GLN B 255
THR B 258
HIS B 276
LEU B 283
1.38A22.77
DMS  B 907 (-4.5A)
DMS  B 907 (-3.4A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 11
ALA A 262
LEU A 254
PHE A 259
SER A 116
ILE A 286
1.57A18.77
None
None
None
OCS  A 112 ( 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.
3A50_C_VD3C2001_1
(VITAMIN D
HYDROXYLASE)		Cholecalciferol5 / 11
THR B  91
LEU B 118
LEU B 153
ILE B 152
THR B 169
1.60A20.33
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.
6R2E_B_FFOB403_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 10
ASN A  14
ASP A  38
LEU A  37
GLY A  39
ASN A  89
1.25A21.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5T8S_B_SAMB402_1
(S-ADENOSYLMETHIONINE
SYNTHASE)		S-Adenosylmethionine4 / 8
HIS A  51
THR A  11
PHE A  56
ASP A  38
1.49A21.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KNY_B_KANB559_1
(KANAMYCIN
NUCLEOTIDYLTRANSFERA
SE)		Kanamycin4 / 8
GLU B 162
SER A 246
ASP A 303
GLU A 204
1.54A20.50
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.
5N0T_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 5
TYR A  84
SER A  86
ALA A  87
THR A  91
1.70A21.14
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.
4PO0_A_NPSA602_1
(SERUM ALBUMIN)		Naproxen4 / 8
ARG A 184
ALA A 182
GLY A 202
LEU A 179
1.28A20.20
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Pentazocine5 / 11
VAL A 301
ALA A 250
TYR A 306
THR A 211
ALA A 247
1.46A18.63
None
None
None
None
P85  B 902 ( 4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XZ1_A_HLTA2001_1
(FERRITIN LIGHT CHAIN)		Halothane4 / 4
LEU B 173
SER B 156
TYR B 155
LEU B 133
1.57A21.25
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.
4PFJ_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 7
GLU B 204
THR A  75
HIS A 176
SER A  79
1.53A21.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7C_A_HLTA4007_1
(SERUM ALBUMIN)		Halothane4 / 8
HIS A 276
ASN A 263
LEU A 118
LEU A 119
0.97A18.61
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.
4BB2_B_STRB1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		Progesterone5 / 11
ALA A  69
GLN A  20
THR A  10
ARG A  66
HIS A  18
1.80A21.07
6.31
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.
3JQ7_B_DX2B271_1
(PTERIDINE REDUCTASE
1)		Triamterene4 / 8
SER B 116
ASP B 165
TYR B 274
LEU B 212
1.38A19.82
OCS  B 112 ( 3.5A)
P85  B 902 (-3.8A)
P85  B 902 (-4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W98_A_P1ZA1352_1
(PROSTAGLANDIN
REDUCTASE 2)		Phenylbutazone4 / 7
TYR B 306
LEU B 217
ASN B 216
TYR B 311
1.74A20.57
DMS  B 907 (-4.6A)
None
None
NA  B 903 (-4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM4_A_DR7A100_1
(PROTEASE)		Atazanavir5 / 11
GLY A  39
ASP A  41
GLY A  82
LEU A  81
VAL A 160
1.41A16.29
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.
3BL1_A_BL1A300_1
(CARBONIC ANHYDRASE 2)		Indapamide5 / 12
HIS A 172
HIS B 172
PHE B 128
LEU B 174
THR B 171
1.59A19.23
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.
1SA1_B_PODB700_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		Podofilox5 / 12
VAL A 221
LEU A 254
ASN A 216
ALA A 247
ALA A 250
1.35A21.96
21.84
None
None
None
P85  B 902 ( 4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_C_ACRC608_1
(ALPHA-AMYLASE)		Acarbose3 / 3
TYR B 113
ALA B 120
LEU B 121
0.81A21.31
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.
5Z0F_B_DAHB98_0
(MELC
TYROSINASE)		Levodopa5 / 11
ILE A 286
HIS A 273
VAL A 166
SER A 115
ASP A 303
1.56A19.63
16.67
None
OCS  A 112 ( 3.8A)
None
OCS  A 112 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OR0_B_NPSB602_1
(SERUM ALBUMIN)		Naproxen5 / 9
ALA B 120
LEU B 102
LEU B 121
SER B 241
VAL B 126
1.53A20.23
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.
5TOA_A_ESTA601_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
LEU A  65
ALA A  69
LEU A  81
LEU A  59
LEU A  76
1.39A21.43
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.
6HQB_A_PQNA2001_0
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 10
GLY A  82
ARG A  83
ALA A 154
LEU A 153
LEU A 102
1.37A17.90
9.82
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.
4L4A_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor5 / 8
PHE A  96
THR A 103
THR A  91
LEU A 118
ASP A 144
1.76A21.74
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.
1KT5_A_RTLA176_0
(PLASMA
RETINOL-BINDING
PROTEIN)		Vitamin A5 / 12
LEU B 153
LEU B 151
ALA B 130
LEU B 173
ARG B  83
1.35A20.79
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.
3OGP_B_017B200_1
(FIV PROTEASE)		Darunavir5 / 10
LEU B 254
ALA B 279
GLY B 100
ILE B 286
LEU B 283
1.34A15.41
DMS  B 907 (-4.3A)
DMS  B 904 (-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.
1D4S_A_TPVA201_2
(PROTEIN (HIV-1
PROTEASE))		Tipranavir4 / 8
LEU A 124
ALA A 177
ILE A 152
VAL A 126
1.01A15.36
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.
5UUN_B_ACTB309_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid3 / 3
TYR B  84
ALA B 132
TYR B  73
1.12A22.00
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.
3DZU_A_9CRA7223_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE A 286
GLN A  98
ILE A 105
LEU A 102
HIS A 273
1.49A18.80
None
None
None
None
OCS  A 112 ( 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.
5L8D_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		Edetic Acid4 / 8
ARG B 167
ARG A 167
TYR A 274
THR A 302
1.43A22.07
DMS  A 903 ( 3.7A)
DMS  B 906 (-3.4A)
P85  A 902 (-4.2A)
P85  A 902 (-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.
3GYQ_B_SAMB270_0
(RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE)		S-Adenosylmethionine5 / 11
LEU A 118
ALA A 120
GLY A 288
LEU A 102
VAL A  99
1.56A21.05
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.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		Dolutegravir4 / 7
ASP B 303
TYR B 269
PRO B 248
GLN A 270
1.62A21.78
None
P85  A 902 (-2.7A)
P85  B 902 (-4.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XJ7_D_ADND303_1
(5'/3'-NUCLEOTIDASE
SURE)		Adenosine5 / 10
LEU B  81
GLY B  82
TYR B  84
SER B  86
ALA B 132
1.32A23.93
None
DMS  B 905 (-3.7A)
None
DMS  B 905 ( 4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C9J_B_308B101_1
(PROTON CHANNEL
PROTEIN M2,
TRANSMEMBRANE
SEGMENT)		Amantadine4 / 6
ALA B  87
SER B  86
ALA B 154
SER B  79
1.32A7.12
None
DMS  B 905 ( 4.4A)
None
DMS  B 905 ( 4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FR3_A_REAA300_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
2)		Tretinoin6 / 12
PHE B 148
LEU B 133
ALA B 136
ALA B 140
THR B  91
LEU B 114
1.78A17.86
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.
2F78_A_BEZA1001_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		Benzoic Acid5 / 9
LEU A 114
LEU A 118
PHE A 148
LEU A 173
ILE A 152
1.70A19.50
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.
2W9H_A_TOPA1160_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 10
LEU B 174
LEU B 121
SER B 241
PHE B 305
THR B 169
1.55A17.13
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.
1ERR_B_CCSB381_0
(ESTROGEN RECEPTOR)		Carbocisteine3 / 3
GLU B 180
ALA B 182
SER B 240
0.86A21.74
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.
1RK3_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU A 179
VAL A 203
SER A 241
HIS A 176
LEU A 133
1.73A21.55
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.
1P7L_C_SAMC685_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)		S-Adenosylmethionine4 / 8
HIS A  51
THR A  11
PHE A  56
ASP A  38
1.45A22.25
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.
5OSP_A_ACTA403_0
(CASEIN KINASE II
SUBUNIT ALPHA)		Acetic acid5 / 7
TYR A 252
VAL A 301
VAL A 304
ASP A 303
ALA A 262
1.53A20.65
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.
2VH3_A_DAHA2_1
(RANASMURFIN)		Levodopa5 / 9
ALA A 136
ALA A 140
PHE A  96
ALA A 146
CYH A 149
1.70A16.40
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.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 12
ASN A  14
ASP A  38
LEU A  37
GLY A  39
ASN A  89
1.34A21.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7P_B_CHDB401_0
(BILE SALT HYDROLASE)		Cholic Acid5 / 10
ILE B 105
ASN B  89
PHE B 148
ALA B  87
LEU B  88
1.56A22.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZN7_A_DESA601_1
(ESTROGEN RECEPTOR)		Diethylstilbestrol5 / 12
MET B 170
LEU B 173
ALA B 177
MET B 244
LEU B 179
1.26A22.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MME_A_29QA603_1
(TRANSPORTER)		Mazindol5 / 9
TYR A  84
VAL A  12
ALA A  69
TYR A  72
PHE A  57
1.66A22.20
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.
5L4E_D_EDPD402_1
(PROTON-GATED ION
CHANNEL)		Thiopental4 / 8
THR A 201
SER B  79
THR B 159
SER B  86
1.30A20.17
DMS  B 905 (-2.1A)
DMS  B 905 ( 4.7A)
None
DMS  B 905 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X1I_D_LOCD502_1
(TUBULIN BETA CHAIN)		Colchicine5 / 12
CYH A 149
LEU A 151
LEU A  88
ASN A  89
LYS A  93
1.39A21.84
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.
5SYJ_A_NIZA809_1
(CATALASE-PEROXIDASE)		Isoniazid4 / 8
ARG A 167
GLU B 162
GLY B 164
THR B 169
1.08A16.96
DMS  B 906 (-3.4A)
None
P85  B 902 ( 3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		Pentobarbital4 / 6
LEU B 102
ALA B 140
ARG B 141
LEU B 119
1.19A21.25
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.
5I1N_F_DVAF9_0
(D-VILLIN HEADPIECE
SUBDOMAIN
VILLIN-1)		L-Valine3 / 3
ALA A 177
ASN A 178
LEU A 179
0.89A8.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G0C_A_AZMA302_1
(CARBONIC ANHYDRASE 2)		Acetazolamide5 / 11
HIS B 172
HIS A 172
PHE A 128
LEU A 174
THR A 171
1.65A19.94
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.
3ABM_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 8
LEU A 124
PHE A 305
MET A 170
THR A 171
LEU A 174
1.42A19.88
12.34
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.
4J7X_B_SASB804_1
(SEPIAPTERIN
REDUCTASE)		Sulfasalazine5 / 12
LEU A 260
CYH A 261
GLN A 122
GLY A 101
LEU A 102
1.54A23.34
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.
1MEH_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		Mycophenolic acid5 / 10
SER A 115
SER A 104
ILE A 286
GLY A 100
GLY A 143
1.42A19.54
OCS  A 112 ( 4.3A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5C6O_A_4YHA501_1
(BH2163 PROTEIN)		Verapamil5 / 9
TYR B 137
MET B 207
MET B 244
PHE B 242
PHE B 305
1.63A20.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TUD_A_ERMA2001_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2B,SOLUBLE
CYTOCHROME B562
CHIMERA)		Ergotamine6 / 12
LEU B 118
VAL B 117
ALA B 132
PHE B 128
LEU B 174
VAL B 126
1.78A19.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EU9_B_REAB601_1
(RETINOIC ACID
RECEPTOR)		Tretinoin5 / 10
VAL B 117
LEU B 118
SER B 116
GLY B 164
VAL B 166
1.51A20.73
None
None
OCS  B 112 ( 3.5A)
P85  B 902 ( 3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		Digoxin5 / 12
LEU B 124
ALA B 120
VAL B 117
LEU B 163
HIS B 273
1.49A20.13
None
None
None
P85  B 902 (-4.1A)
OCS  B 112 ( 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.
1PK7_B_ADNB1246_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		Adenosine5 / 8
GLY B 202
VAL B 203
GLU B 204
GLU A 162
SER A  79
1.54A19.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KI6_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 4
PHE A 128
VAL A 126
ALA A 177
PHE A 242
1.63A17.40
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.
5HIE_D_P06D801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib6 / 12
PHE A 305
VAL A 126
ALA A 177
VAL A 166
LEU A 173
PHE A 148
1.60A22.63
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.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Erlotinib6 / 12
LEU A  81
LEU A  37
THR A  35
LEU A  59
LEU A  65
THR A  10
1.77A20.87
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.
3JUS_A_ECLA600_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Econazole5 / 8
LEU A 212
GLY A 257
ALA A 279
THR A 278
ILE A 277
1.78A21.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ECM_D_LEUD602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		L-Leucine4 / 7
VAL A  42
TYR A  28
GLU A  52
HIS A  51
1.47A20.14
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.
6F6J_A_ACTA404_0
(L-LYSINE
3-HYDROXYLASE)		Acetic acid4 / 6
ILE A 286
LEU A 118
VAL A  99
SER A 115
1.70A22.88
None
None
None
OCS  A 112 ( 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.
5BTA_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		Moxifloxacin4 / 7
ARG B 285
GLY B 299
THR B 266
GLU B 264
1.41A21.57
21.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F88_A_STRA502_1
(CYTOCHROME P450
CYP260A1)		Progesterone4 / 6
PHE B 259
LEU B 254
ALA B 262
THR B 292
1.50A21.85
None
DMS  B 907 (-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.
4EYZ_A_CCSA109_0
(CELLULOSOME-RELATED
PROTEIN MODULE FROM
RUMINOCOCCUS
FLAVEFACIENS THAT
RESEMBLES
PAPAIN-LIKE CYSTEINE
PEPTIDASES)		Carbocisteine4 / 8
VAL A  99
HIS A 276
ILE A 286
ALA A 262
1.15A20.36
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.
5GWK_F_EVPF102_1
(DNA TOPOISOMERASE
2-ALPHA)		Etoposide4 / 5
ASP B  77
ARG B  83
MET A 244
MET A 245
1.33A17.56
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.
4L4D_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor5 / 8
PHE A  96
THR A 103
THR A  91
LEU A 118
ASP A 144
1.77A21.90
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		Baclofen4 / 8
SER B 156
HIS B 172
TYR B 113
GLU B 168
1.28A22.00
None
None
None
DMS  B 906 ( 3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UGR_A_IMNA2001_2
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		Indomethacin4 / 7
TYR A 155
GLU A  78
GLN B 175
PRO A  34
1.59A23.33
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.
4F3T_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 4
PHE A 128
VAL A 126
ALA A 177
PHE A 242
1.59A17.40
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.
2HZQ_A_STRA300_1
(APOLIPOPROTEIN D)		Progesterone4 / 7
THR A  55
ALA A  69
TYR A  73
LEU A  81
1.23A20.63
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.
3N3I_A_ROCA201_1
(PROTEASE)		Saquinavir5 / 12
ALA B 145
ASP B 144
VAL B 117
ALA B 150
ILE B 105
1.39A21.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIJ_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 8
LEU A 124
PHE A 305
MET A 170
THR A 171
LEU A 174
1.39A19.88
12.34
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.
4FIA_A_198A602_1
(CHOLESTEROL
24-HYDROXYLASE)		Bicalutamide5 / 12
PHE A 305
ARG A 167
ALA A 120
GLU A 168
THR A 169
1.55A21.48
None
DMS  B 906 (-3.4A)
None
DMS  A 903 (-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.
5KSN_A_NIZA809_1
(CATALASE-PEROXIDASE)		Isoniazid5 / 9
ARG B 167
GLU A 162
GLU B 204
GLY A 164
THR A 169
1.51A17.99
DMS  A 903 ( 3.7A)
None
None
DMS  A 903 (-3.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W6H_A_AZMA303_1
(CARBONIC ANHYDRASE 1)		Acetazolamide4 / 8
HIS A 172
HIS B 172
LEU B 174
THR B 171
1.42A21.23
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.
1T46_A_STIA3_1
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		Imatinib5 / 12
LEU A  59
GLU A  68
GLY A  82
LEU A  81
ASP A  13
1.39A22.03
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.
1TUV_A_VK3A4558_1
(PROTEIN YGIN)		Menadione4 / 7
HIS B 176
LEU B 133
TYR B  73
ILE B 152
1.56A16.55
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.
5N4I_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 5
TYR A  84
SER A  86
ALA A  87
THR A  91
1.47A21.36
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.
3TQ9_A_MTXA2001_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU B 217
LEU B 186
LYS B 196
ILE B 223
THR B 313
1.41A18.89
None
None
None
None
NA  B 903 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X1K_D_LOCD502_2
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU A 121
LEU A 119
ASN A 111
THR A  91
ALA A 145
1.49A21.84
None
None
OCS  A 112 ( 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.
4L1A_A_AB1A101_2
(MDR769 HIV-1
PROTEASE)		Lopinavir4 / 6
ARG B 167
ASP B 287
PRO B 249
THR B 302
1.32A14.43
DMS  A 903 ( 3.7A)
None
P85  B 902 (-4.4A)
P85  B 902 (-3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SG9_B_SAMB302_0
(HEMK PROTEIN)		S-Adenosylmethionine5 / 12
PHE B  96
PRO B  97
GLY B 143
GLU B 135
ALA B 146
1.48A20.91
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.
4MUB_A_OAQA302_0
(SULFOTRANSFERASE)		Oxamniquine5 / 12
PHE A 305
LEU A 102
GLY A 164
MET A 170
THR A 169
1.46A21.43
None
None
DMS  A 903 (-3.0A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TE0_A_XINA401_1
(AP2-ASSOCIATED
PROTEIN KINASE 1)		Nintedanib5 / 12
GLU B 281
ALA B 279
GLU B 125
GLY B 100
LEU B 102
1.44A21.45
None
DMS  B 904 (-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.
6R2E_F_FFOF403_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 11
ASN A  14
ASP A  38
LEU A  37
GLY A  39
ASN A  89
1.31A21.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LB2_A_DM5A601_1
(SERUM ALBUMIN)		Idarubicin4 / 7
VAL A  58
TYR A  72
GLU A  68
TYR A  73
1.37A18.61
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.
3G4L_D_ROFD904_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		Roflumilast3 / 3
ASN B 157
MET B  85
PHE B  80
1.71A24.05
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.
1D4F_B_ADNB602_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		Adenosine5 / 12
LEU A 260
HIS A 276
LEU A 119
LEU A 102
GLY A 101
1.75A19.68
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.
3ML5_A_AZMA264_1
(CARBONIC ANHYDRASE 7)		Acetazolamide5 / 11
HIS A 172
HIS B 172
PHE B 128
LEU B 174
THR B 171
1.55A21.11
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.
4NED_A_PFNA709_1
(LACTOTRANSFERRIN)		Fenoprofen4 / 6
VAL B  99
SER B 115
ALA B 262
PHE B 259
1.68A21.20
None
OCS  B 112 ( 4.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5SXT_A_NIZA807_1
(CATALASE-PEROXIDASE)		Isoniazid4 / 8
ARG A 167
GLU B 162
GLY B 164
THR B 169
1.13A16.96
DMS  B 906 (-3.4A)
None
P85  B 902 ( 3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CG6_A_RISA404_1
(FARNESYL
PYROPHOSPHATE
SYNTHASE)		Risedronate5 / 12
LEU A 291
THR A 282
LYS A 280
THR A 278
GLN A 123
1.67A21.51
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.
4L1A_A_AB1A101_1
(MDR769 HIV-1
PROTEASE)		Lopinavir5 / 11
ALA A  40
ASP A  38
THR A  35
THR A  43
VAL A  42
1.51A14.43
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.
6AG0_C_ACRC607_0
(ALPHA-AMYLASE)		Acarbose4 / 6
ASP A  23
GLY A  33
PRO A  34
GLY A  29
1.41A21.31
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.
3RUN_A_CCSA165_0
(LYSOZYME)		Carbocisteine3 / 3
ASN A 111
ALA A 108
LYS A 106
1.38A20.77
OCS  A 112 ( 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.
1RQP_A_SAMA500_1
(5'-FLUORO-5'-DEOXYAD
ENOSINE SYNTHASE)		S-Adenosylmethionine4 / 7
ASP B 303
PHE B 305
ASN B 263
ARG B 167
1.79A22.35
None
None
None
DMS  A 903 ( 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.
5MWU_A_EDTA609_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		Edetic Acid4 / 8
ARG B 167
ARG A 167
TYR A 274
THR A 302
1.43A22.07
DMS  A 903 ( 3.7A)
DMS  B 906 (-3.4A)
P85  A 902 (-4.2A)
P85  A 902 (-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.
4EJG_B_NCTB501_1
(CYTOCHROME P450 2A13)		Nicotine4 / 8
ASN B 147
PHE B 148
ALA B 145
THR B 103
1.12A21.09
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
ASP B 287
ALA B 289
LYS B 106
LEU B 119
1.68A19.29
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.
3K9W_A_ACTA170_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		Acetic acid3 / 3
SER B  79
GLY A 202
THR A 201
1.24A21.79
DMS  B 905 ( 4.7A)
None
DMS  B 905 (-2.1A)
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.
1SQ5_B_PAUB6003_0
(PANTOTHENATE KINASE)		Pantothenic acid5 / 10
LEU B 217
LYS B 218
GLY B 220
TYR B 311
ILE B 315
1.65A22.07
None
None
None
NA  B 903 (-4.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V4T_D_ACTD502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid3 / 3
GLY B 220
THR B 219
ASN B 216
1.06A20.32
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.
3T3S_B_9PLB1_1
(CYTOCHROME P450 2A13)		Pilocarpine4 / 6
ASN B 147
PHE B 148
ALA B 145
THR B 103
1.16A21.09
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.
5B1A_J_CHDJ102_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
LEU A 124
MET A 170
THR A 171
LEU A 174
1.07A19.88
12.34
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.
3A65_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		Aminocaproic Acid5 / 12
MET B 209
ALA B 247
TYR A 269
ASP B 165
GLY B 210
1.78A19.65
P85  A 902 ( 3.2A)
P85  A 902 ( 4.6A)
P85  A 902 ( 3.1A)
P85  B 902 (-3.8A)
P85  A 902 (-3.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DF3_A_SAMA301_1
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		S-Adenosylmethionine3 / 3
TYR B 311
THR B 313
GLU B 239
1.55A18.44
 NA  B 903 (-4.8A)
NA  B 903 (-3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXG_A_IBPA2001_1
(SERUM ALBUMIN)		Ibuprofen5 / 11
TYR A 306
VAL A 301
GLY A 299
ALA A 250
LEU A 212
1.56A18.61
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.
5M50_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL A 166
ASP A 165
LEU A 254
SER A 116
GLY A 267
1.55A22.17
None
P85  A 902 (-3.4A)
None
OCS  A 112 ( 3.6A)
CSO  A 271 ( 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.
3MNO_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		Betamethasone5 / 12
GLY A 143
VAL A  99
LEU A 119
ILE A 152
PHE A 148
1.57A21.10
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.
3EEY_A_SAMA300_0
(PUTATIVE RRNA
METHYLASE)		S-Adenosylmethionine5 / 12
GLY A 202
HIS B 172
GLN B 175
LEU A 179
THR A 171
1.40A20.37
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.
4G8Z_X_TOPX301_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 10
ILE B 152
ALA B 150
PHE B 148
PRO B 131
THR B  91
1.66A19.87
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.
3Q5P_A_TACA7101_1
(MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR)		Tetracycline5 / 12
VAL A 304
TYR A 306
TYR A 214
TYR A 252
TYR A 208
1.78A22.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJU_A_TPVA500_1
(PROTEASE)		Tipranavir5 / 12
ARG B 167
ASP B 287
GLY B 272
PRO B 249
THR B 302
1.33A15.36
DMS  A 903 ( 3.7A)
None
None
P85  B 902 (-4.4A)
P85  B 902 (-3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_D_ADND251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		Adenosine5 / 11
GLY B 202
VAL B 203
GLU B 204
GLU A 162
ASP A  77
1.62A22.32
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.
4G1B_D_ECND403_1
(FLAVOHEMOGLOBIN)		Econazole6 / 12
PHE A 128
TYR A 137
PHE A 148
GLN A 122
LEU A 124
LEU A 174
1.56A24.42
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.
4NQA_A_9CRA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 11
ILE A 152
ALA A 150
PHE A 148
LEU A 114
HIS A 176
1.58A19.74
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.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)		Erlotinib6 / 12
PHE A  57
ASP A  41
GLY A  39
ALA A  40
ASP A  38
ILE A  45
1.29A21.05
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.
3H9U_A_ADNA439_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 10
LEU A  17
HIS A  18
THR A  10
THR A  55
LEU A  65
1.63A22.27
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.
2VIN_A_505A1247_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR CHAIN B)		Mexiletine4 / 8
SER A 104
GLN A 123
VAL A  99
GLY A 288
1.24A22.15
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.
3V4T_A_ACTA504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid3 / 3
THR A  11
VAL A  58
GLU A  68
1.09A20.32
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.
3CJT_K_SAMK302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 153
ASP A 165
SER A 156
ASN A 111
LEU A 114
1.42A21.19
None
P85  A 902 (-3.4A)
None
OCS  A 112 ( 3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4POO_A_SAMA301_0
(PUTATIVE RNA
METHYLASE)		S-Adenosylmethionine5 / 12
THR A 159
GLY A 161
ASN A 110
SER A  86
THR B 198
1.14A20.50
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.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)		Methotrexate5 / 12
PHE A  56
ASP A  62
LEU A  65
PHE A  32
ASP A  38
1.55A20.34
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.
5XIP_D_HFGD1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		Halofuginone5 / 12
LEU A  81
VAL A  12
PRO A  60
GLU A  78
ARG A  66
1.70A20.79
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.
6BCC_A_EZLA302_1
(CARBONIC ANHYDRASE 2)		Ethoxzolamide5 / 12
VAL B 206
PHE B 242
VAL B 126
LEU B 174
THR B 171
1.38A19.23
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.
2ZWE_B_DAHB98_1
(TYROSINASE
MELC)		Levodopa5 / 11
ILE A 286
HIS A 273
VAL A 166
SER A 115
ASP A 303
1.58A19.63
16.30
None
OCS  A 112 ( 3.8A)
None
OCS  A 112 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM6_A_29EA603_1
(TRANSPORTER)		Duloxetine5 / 12
TYR A  84
ALA A  69
TYR A  72
PHE A  57
THR A  11
1.54A22.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZUC_A_T98A201_1
(PROGESTERONE
RECEPTOR)		Tanaproget5 / 10
LEU B 114
GLN B 123
LEU B 124
LEU B 173
PHE B  96
1.69A22.09
None
DMS  B 904 ( 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.
4X1Y_D_LOCD502_2
(TUBULIN BETA CHAIN)		Colchicine5 / 12
CYH A 149
LEU A 151
LEU A  88
ASN A  89
LYS A  93
1.36A21.84
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.
1FBY_B_9CRB1500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ALA A 132
ALA A 130
GLN A 134
PHE A 128
HIS A 172
1.51A22.53
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.
3BBT_B_FMMB91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		Lapatinib5 / 12
ALA A 279
LEU A 102
THR A 278
LEU A 283
LEU A 124
1.41A18.81
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.
1AO8_A_MTXA170_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate6 / 12
LEU B 151
ALA B 146
LEU B 118
PHE B 148
ALA B 136
THR B  91
1.77A19.94
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.
5HFJ_B_SAMB301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ALA A 140
HIS A 176
GLN A 175
THR A 171
TYR A 155
1.54A21.54
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.
5MM4_B_TA1B501_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 10
VAL A 301
GLU A 264
ALA A 262
PHE A 259
LEU A 283
1.53A22.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK9_A_2FAA306_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		Fludarabine6 / 10
GLY B 202
VAL B 203
GLU B 204
GLU A 162
SER A  79
ASP A  77
1.65A19.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4W5R_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 4
PHE A 128
VAL A 126
ALA A 177
PHE A 242
1.65A17.40
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.
3V2M_A_AZMA303_1
(CARBONIC ANHYDRASE 2)		Acetazolamide5 / 10
HIS A 172
HIS B 172
PHE B 128
LEU B 174
THR B 171
1.57A19.23
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.
1XIU_B_9CRB202_1
(RXR-LIKE PROTEIN)		Alitretinoin5 / 12
ALA A 132
ALA A 130
GLN A 134
PHE A 128
HIS A 172
1.44A22.91
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.
5I8F_A_ML1A210_1
(PHENOLIC OXIDATIVE
COUPLING PROTEIN)		Melatonin5 / 12
LEU B 133
VAL B 126
PHE B 128
LEU B 179
VAL B 203
1.61A21.41
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.
2ROX_B_T44B128_1
(TRANSTHYRETIN)		Levothyroxine4 / 6
GLU B 308
ALA B 205
LEU B 179
THR B 201
1.43A20.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEO_A_VDYA206_1
(CDL2.3A)		Calcidiol5 / 12
LEU B 133
PHE B 148
LEU B 124
PHE B 128
THR B 169
1.56A18.12
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.
5TL8_A_X2NA502_1
(PROTEIN CYP51)		Posaconazole6 / 12
PHE A 305
ALA A 262
ALA A  87
ALA A 146
LEU A 118
THR A 275
1.79A21.52
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.
3BPX_A_SALA257_1
(TRANSCRIPTIONAL
REGULATOR)		Salicylic acid4 / 8
ALA A 146
CYH A 149
ILE A 105
THR A  91
1.36A17.89
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.
4DAN_A_2FAA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		Fludarabine6 / 11
GLY B 202
VAL B 203
GLU B 204
GLU A 162
SER A  79
ASP A  77
1.59A23.15
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.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 11
ASN A  14
ASP A  38
LEU A  37
GLY A  39
ASN A  89
1.33A21.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MBS_A_MRVA1101_2
(CHIMERA PROTEIN OF
C-C CHEMOKINE
RECEPTOR TYPE 5 AND
RUBREDOXIN)		Maraviroc4 / 7
TYR B 252
GLN B 238
THR B 309
THR B 278
1.38A19.42
DMS  B 907 (-4.7A)
None
None
DMS  B 904 ( 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.
4PGF_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
THR A  75
THR A 171
HIS B 172
ASN A 157
1.47A21.59
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.
3J6P_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
ASP B 165
LEU B 254
PHE B 305
THR B 278
ARG B 285
1.44A21.84
P85  B 902 (-3.8A)
DMS  B 907 (-4.3A)
None
DMS  B 904 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YGQ_A_PCFA1275_0
(WNT INHIBITORY
FACTOR 1)		Colfosceril palmitate5 / 12
LEU B 173
ILE B 152
PRO B  97
ILE B 286
VAL B 126
1.33A20.06
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.
4FGL_C_CLQC303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Chloroquine4 / 8
GLY B 100
VAL B  99
ILE B 277
PHE B 259
1.29A22.26
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.
4ZBQ_A_DIFA602_1
(SERUM ALBUMIN)		Diclofenac4 / 8
LEU A 212
ASP A 303
ALA A 262
GLU A 264
1.39A19.12
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.
1ZP4_B_C2FB996_0
(5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE)		Levomefolic acid5 / 10
ASP A  62
GLN A  20
SER A  25
GLN A  30
THR A  10
1.49A20.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U40_C_ADNC251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		Adenosine5 / 12
GLY B 202
VAL B 203
GLU B 204
GLU A 162
ASP A  77
1.64A22.32
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.
3K5V_A_STIA2_2
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 6
LEU A 217
VAL A 226
VAL A 188
ILE A 223
1.53A23.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UUN_A_ACTA312_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid3 / 3
ILE B 286
VAL B  99
PRO B  97
0.81A22.00
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.
5NUJ_A_Z80A201_1
(BETA-LACTOGLOBULIN)		Chlorpromazine5 / 8
VAL B 126
PHE B 305
LEU B 124
VAL B 166
MET B 170
1.53A20.69
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.
2WEY_A_EV1A1771_1
(CAMP AND
CAMP-INHIBITED CGMP
3', 5'-CYCLIC
PHOSPHODIESTERASE)		Papaverine5 / 12
TYR B 311
LEU B 186
TYR B 306
GLU B 308
MET B 245
1.53A19.72
 NA  B 903 (-4.8A)
None
DMS  B 907 (-4.6A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_F_ACTF3008_0
(BETA-CARBONIC
ANHYDRASE)		Acetic acid4 / 8
ASP A  41
VAL A  58
GLY A  29
GLY A  33
1.32A23.55
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.
1XZ3_A_ICFA201_1
(FERRITIN LIGHT CHAIN)		Isoflurane4 / 4
LEU B 173
SER B 156
TYR B 155
LEU B 133
1.59A21.25
None