POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second 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. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD Seq.
Identity (%)
View 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.
1X8V_A_ESLA471_1
(CYTOCHROME P450 51)
1bc7 PROTEIN (ETS-DOMAIN
PROTEIN)
(Homo
sapiens)
4 / 8TYR C  82
PHE C  33
ALA C  38
LEU C  59
None
1.11A13.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA471_1
(CYTOCHROME P450 51)
1hbx ETS-DOMAIN PROTEIN
ELK-4
(Homo
sapiens)
4 / 8TYR G  82
PHE G  33
ALA G  38
LEU G  59
None
1.16A15.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA471_1
(CYTOCHROME P450 51)
1x9d ENDOPLASMIC
RETICULUM
MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E
(Homo
sapiens)
4 / 8TYR A 684
PHE A 605
ARG A 609
LEU A 345
None
1.17A23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA471_1
(CYTOCHROME P450 51)
2adc POLYPYRIMIDINE
TRACT-BINDING
PROTEIN 1
(Homo
sapiens)
4 / 8TYR A 361
PHE A 438
HIS A 512
LEU A 508
None
None
U  B 535 ( 4.3A)
None
1.16A20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA471_1
(CYTOCHROME P450 51)
2q0z PROTEIN PRO2281
(Homo
sapiens)
4 / 8TYR X 207
PHE X 203
ARG X 236
ALA X 305
None
1.13A20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA471_1
(CYTOCHROME P450 51)
4a0k CULLIN-4A
(Homo
sapiens)
4 / 8PHE A 449
HIS A 412
LEU A 366
MET A 361
None
1.15A20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA471_1
(CYTOCHROME P450 51)
4elj RETINOBLASTOMA-ASSOC
IATED PROTEIN
(Homo
sapiens)
4 / 8TYR A 225
PHE A 226
ALA A 201
LEU A 303
None
1.08A20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA471_1
(CYTOCHROME P450 51)
5apa ASPARTYL/ASPARAGINYL
BETA-HYDROXYLASE
(Homo
sapiens)
4 / 8TYR A 667
PHE A 612
ALA A 640
MET A 605
None
1.04A18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA471_1
(CYTOCHROME P450 51)
5jz8 ASPARTYL/ASPARAGINYL
BETA-HYDROXYLASE
(Homo
sapiens)
4 / 8TYR A 667
PHE A 612
ALA A 640
MET A 605
None
ACT  A 803 (-4.8A)
None
None
1.00A21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA472_1
(CYTOCHROME P450 51)
1zs6 NUCLEOSIDE
DIPHOSPHATE KINASE 3
(Homo
sapiens)
4 / 6MET A  85
VAL A  82
LEU A  81
PHE A  77
None
None
ADP  A 201 (-4.1A)
ADP  A 201 (-3.5A)
1.00A18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA472_1
(CYTOCHROME P450 51)
2jeo URIDINE-CYTIDINE
KINASE 1
(Homo
sapiens)
4 / 6MET A  97
VAL A 135
LEU A  25
PHE A 152
None
0.98A17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA472_1
(CYTOCHROME P450 51)
2okj GLUTAMATE
DECARBOXYLASE 1
(Homo
sapiens)
4 / 6VAL A 337
LEU A 282
PHE A 303
MET A 276
None
1.12A23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA472_1
(CYTOCHROME P450 51)
2v9k UNCHARACTERIZED
PROTEIN FLJ32312
(Homo
sapiens)
4 / 6MET A 250
VAL A 249
LEU A 253
PHE A 261
None
1.22A22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA472_1
(CYTOCHROME P450 51)
2wq9 RETINOL-BINDING
PROTEIN 4
(Homo
sapiens)
4 / 6MET A  73
VAL A  93
LEU A  97
PHE A  96
OLA  A1179 ( 4.9A)
None
None
None
1.20A15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA472_1
(CYTOCHROME P450 51)
3ibj CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE
(Homo
sapiens)
4 / 6MET A 694
LEU A 738
PHE A 746
MET A 761
None
1.08A20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA472_1
(CYTOCHROME P450 51)
3kg5 B-CELL ANTIGEN
RECEPTOR
COMPLEX-ASSOCIATED
PROTEIN BETA CHAIN
(Homo
sapiens)
4 / 6MET A  96
VAL A 142
LEU A 140
MET A  63
None
1.08A13.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA472_1
(CYTOCHROME P450 51)
3mop INTERLEUKIN-1
RECEPTOR-ASSOCIATED
KINASE-LIKE 2
(Homo
sapiens)
4 / 6VAL K  75
LEU K  78
PHE K  31
MET K  20
None
1.08A14.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA472_1
(CYTOCHROME P450 51)
3odo RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 1
(Homo
sapiens)
4 / 6MET A 434
VAL A 437
LEU A 438
PHE A 461
None
0.91A22.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA472_1
(CYTOCHROME P450 51)
3zkm FAB HEAVY CHAIN
(Homo
sapiens)
4 / 6VAL C  37
LEU C  48
PHE C  63
MET C  82
None
None
GOL  C1217 (-4.0A)
None
1.10A17.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA472_1
(CYTOCHROME P450 51)
4htz CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE
(Homo
sapiens)
4 / 6MET A 694
LEU A 738
PHE A 746
MET A 761
None
1.13A19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA472_1
(CYTOCHROME P450 51)
4kro CETUXIMAB HEAVY
CHAIN
(Homo
sapiens;
Mus
musculus)
4 / 6VAL D  37
LEU D  48
PHE D  63
MET D  82
None
1.10A17.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA472_1
(CYTOCHROME P450 51)
4zud CHIMERA PROTEIN OF
SOLUBLE CYTOCHROME
B562 AND TYPE-1
ANGIOTENSIN II
RECEPTOR
(Escherichia
coli;
Homo
sapiens)
4 / 6MET A 243
VAL A 246
LEU A 247
PHE A 251
None
1.04A23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA472_1
(CYTOCHROME P450 51)
5e9j MRNA CAP GUANINE-N7
METHYLTRANSFERASE,MR
NA CAP GUANINE-N7
METHYLTRANSFERASE
(Homo
sapiens)
4 / 6MET A 179
VAL A 182
LEU A 183
PHE A 187
None
0.91A19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA472_1
(CYTOCHROME P450 51)
5fwj HISTONE DEMETHYLASE
JARID1C
(Homo
sapiens)
4 / 6VAL A 486
LEU A 487
PHE A 642
MET A 497
None
1.10A20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X8V_A_ESLA472_1
(CYTOCHROME P450 51)
6b9h PROTEIN HOOK HOMOLOG
3
(Homo
sapiens)
4 / 6MET A  41
VAL A  44
LEU A  45
PHE A  53
None
1.19A12.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
1ef1 MOESIN
(Homo
sapiens)
6 / 12LEU A 125
ALA A 129
LEU A 192
ILE A 115
GLY A 109
LEU A 111
None
1.28A22.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
1pcg ESTROGEN RECEPTOR
(Homo
sapiens)
12 / 12MET A 343
LEU A 346
ALA A 350
GLU A 353
LEU A 387
MET A 388
LEU A 391
ARG A 394
ILE A 424
GLY A 521
HIS A 524
LEU A 525
EST  A   1 ( 4.0A)
EST  A   1 (-4.4A)
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
EST  A   1 (-4.0A)
None
EST  A   1 ( 3.9A)
EST  A   1 (-3.7A)
EST  A   1 ( 4.5A)
EST  A   1 ( 4.1A)
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
0.33A98.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
1pcg ESTROGEN RECEPTOR
(Homo
sapiens)
6 / 12MET A 343
LEU A 346
LEU A 402
ILE A 424
GLY A 521
HIS A 524
EST  A   1 ( 4.0A)
EST  A   1 (-4.4A)
None
EST  A   1 ( 4.5A)
EST  A   1 ( 4.1A)
EST  A   1 (-3.8A)
1.34A98.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
1uhl RETINOIC ACID
RECEPTOR RXR-BETA
(Homo
sapiens)
5 / 12ALA A 343
LEU A 380
ARG A 387
ILE A 499
GLY A 500
MEI  A1001 (-3.3A)
MEI  A1001 (-3.8A)
MEI  A1001 (-3.6A)
None
None
1.03A31.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
1xb7 STEROID HORMONE
RECEPTOR ERR1
(Homo
sapiens)
5 / 12LEU A 324
GLU A 331
LEU A 365
ARG A 372
HIS A 494
None
0.56A32.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA
(Homo
sapiens)
5 / 12ALA A 272
LEU A 309
ARG A 316
ILE A 428
GLY A 429
9CR  A 801 (-3.5A)
9CR  A 801 (-4.2A)
9CR  A 801 (-2.6A)
None
None
1.00A30.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA
(Homo
sapiens)
6 / 12LEU A 268
ALA A 272
GLU A 275
LEU A 309
ARG A 316
HIS A 434
OHT  A 500 (-4.1A)
OHT  A 500 (-3.5A)
OHT  A 500 (-2.6A)
OHT  A 500 ( 4.0A)
OHT  A 500 (-3.8A)
OHT  A 500 ( 4.7A)
0.59A36.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
2ocf ESTROGEN RECEPTOR
(Homo
sapiens)
12 / 12MET A 343
LEU A 346
ALA A 350
GLU A 353
LEU A 387
MET A 388
LEU A 391
ARG A 394
ILE A 424
GLY A 521
HIS A 524
LEU A 525
EST  A 596 (-4.8A)
EST  A 596 (-4.4A)
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.2A)
None
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 ( 4.7A)
EST  A 596 ( 4.0A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
0.44A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
2ocf ESTROGEN RECEPTOR
(Homo
sapiens)
6 / 12MET A 343
LEU A 346
LEU A 402
ILE A 424
GLY A 521
HIS A 524
EST  A 596 (-4.8A)
EST  A 596 (-4.4A)
None
EST  A 596 ( 4.7A)
EST  A 596 ( 4.0A)
EST  A 596 (-4.2A)
1.30A100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA
(Homo
sapiens)
5 / 12ALA A 272
LEU A 309
ARG A 316
ILE A 428
GLY A 429
9CR  A7223 (-4.2A)
9CR  A7223 ( 4.4A)
9CR  A7223 (-3.7A)
None
None
0.99A20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
3kn1 GOLGI PHOSPHOPROTEIN
3
(Homo
sapiens)
5 / 12LEU A 133
ALA A 136
LEU A 156
ILE A  95
LEU A 103
None
1.01A23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
3p8c NCK-ASSOCIATED
PROTEIN 1
(Homo
sapiens)
5 / 12LEU B 375
ALA B 378
LEU B 408
HIS B 575
LEU B 539
None
1.11A13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
3sm9 METABOTROPIC
GLUTAMATE RECEPTOR 3
(Homo
sapiens)
5 / 12ALA A  80
LEU A 135
ILE A 117
GLY A  17
HIS A  69
None
1.03A19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1
(Homo
sapiens)
5 / 12ALA D 272
LEU D 309
ARG D 316
ILE D 345
LEU D 436
None
0.97A28.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1
(Homo
sapiens)
5 / 12ALA D 272
LEU D 309
ARG D 316
ILE D 428
GLY D 429
None
0.96A28.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
4rm9 EZRIN
(Homo
sapiens)
6 / 12LEU A 125
ALA A 129
LEU A 192
ILE A 115
GLY A 109
LEU A 111
None
1.21A16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
4udb MINERALOCORTICOID
RECEPTOR
(Homo
sapiens)
5 / 12LEU A 769
ALA A 773
LEU A 810
LEU A 814
ARG A 817
CV7  A1987 (-4.1A)
CV7  A1987 (-3.5A)
CV7  A1987 (-4.0A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
0.36A27.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
4uhi STEROL 14-ALPHA
DEMETHYLASE
(Homo
sapiens)
5 / 12LEU A 305
LEU A 286
ARG A 272
GLY A 162
LEU A 159
None
None
None
None
VFV  A 580 (-4.5A)
1.03A21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
5cni METABOTROPIC
GLUTAMATE RECEPTOR 2
(Homo
sapiens)
5 / 12ALA A  98
LEU A 154
ILE A 136
GLY A  35
HIS A  87
None
0.90A18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
5kzn METABOTROPIC
GLUTAMATE RECEPTOR 2
(Homo
sapiens)
5 / 12ALA A  98
LEU A 154
ILE A 136
GLY A  35
HIS A  87
None
0.97A16.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
5toa ESTROGEN RECEPTOR
BETA
(Homo
sapiens)
5 / 12ALA A 302
GLU A 305
ARG A 346
ILE A 373
LEU A 476
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
EST  A 601 (-4.1A)
None
EST  A 601 (-3.5A)
1.11A56.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
5toa ESTROGEN RECEPTOR
BETA
(Homo
sapiens)
7 / 12MET A 294
LEU A 298
GLU A 305
MET A 340
LEU A 343
ARG A 346
ILE A 376
None
EST  A 601 (-4.1A)
EST  A 601 (-2.4A)
EST  A 601 ( 4.8A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.4A)
1.44A56.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
5toa ESTROGEN RECEPTOR
BETA
(Homo
sapiens)
12 / 12MET A 295
LEU A 298
ALA A 302
GLU A 305
LEU A 339
MET A 340
LEU A 343
ARG A 346
ILE A 376
GLY A 472
HIS A 475
LEU A 476
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
EST  A 601 (-3.9A)
EST  A 601 ( 4.8A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.0A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
0.37A56.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
5toa ESTROGEN RECEPTOR
BETA
(Homo
sapiens)
7 / 12MET A 295
LEU A 298
LEU A 354
ILE A 376
GLY A 472
HIS A 475
LEU A 476
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
None
EST  A 601 ( 4.4A)
EST  A 601 (-4.0A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
1.38A56.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA
(Homo
sapiens)
5 / 12ALA A 272
LEU A 309
ARG A 316
ILE A 428
GLY A 429
9CR  A 503 (-3.5A)
9CR  A 503 (-3.7A)
9CR  A 503 (-3.0A)
None
None
1.07A24.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
5xdr PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE DHX15
(Homo
sapiens)
5 / 12ALA A 563
LEU A 242
ILE A 519
GLY A 518
LEU A 555
None
1.12A17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)
6brr DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A
(Homo
sapiens)
5 / 12LEU A 901
LEU A 653
LEU A 905
ILE A 705
GLY A 646
None
1.14A16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
1dtd CARBOXYPEPTIDASE A2
(Homo
sapiens)
5 / 12LEU A 435
ALA A 434
LEU A 462
ILE A 451
LEU A 653
None
1.07A21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
1ef1 MOESIN
(Homo
sapiens)
5 / 12LEU A 125
ALA A 129
ILE A 115
GLY A 109
LEU A 111
None
0.93A22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
1ih5 AQUAPORIN-1
(Homo
sapiens)
5 / 12LEU A  19
ALA A  20
LEU A  63
ILE A  70
GLY A  72
None
0.98A22.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
1pcg ESTROGEN RECEPTOR
(Homo
sapiens)
12 / 12MET A 343
LEU A 346
LEU A 349
ALA A 350
GLU A 353
LEU A 387
MET A 388
ARG A 394
ILE A 424
GLY A 521
HIS A 524
LEU A 525
EST  A   1 ( 4.0A)
EST  A   1 (-4.4A)
EST  A   1 ( 4.8A)
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
EST  A   1 (-4.0A)
None
EST  A   1 (-3.7A)
EST  A   1 ( 4.5A)
EST  A   1 ( 4.1A)
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
0.31A98.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
1uhl RETINOIC ACID
RECEPTOR RXR-BETA
(Homo
sapiens)
5 / 12ALA A 343
LEU A 380
ARG A 387
ILE A 499
GLY A 500
MEI  A1001 (-3.3A)
MEI  A1001 (-3.8A)
MEI  A1001 (-3.6A)
None
None
1.05A31.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
1xb7 STEROID HORMONE
RECEPTOR ERR1
(Homo
sapiens)
6 / 12LEU A 324
LEU A 327
GLU A 331
LEU A 365
ARG A 372
HIS A 494
None
0.55A32.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA
(Homo
sapiens)
5 / 12ALA A 272
LEU A 309
ARG A 316
ILE A 428
GLY A 429
9CR  A 801 (-3.5A)
9CR  A 801 (-4.2A)
9CR  A 801 (-2.6A)
None
None
1.04A30.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA
(Homo
sapiens)
7 / 12LEU A 268
LEU A 271
ALA A 272
GLU A 275
LEU A 309
ARG A 316
HIS A 434
OHT  A 500 (-4.1A)
OHT  A 500 ( 4.4A)
OHT  A 500 (-3.5A)
OHT  A 500 (-2.6A)
OHT  A 500 ( 4.0A)
OHT  A 500 (-3.8A)
OHT  A 500 ( 4.7A)
0.57A36.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
2ocf ESTROGEN RECEPTOR
(Homo
sapiens)
12 / 12MET A 343
LEU A 346
LEU A 349
ALA A 350
GLU A 353
LEU A 387
MET A 388
ARG A 394
ILE A 424
GLY A 521
HIS A 524
LEU A 525
EST  A 596 (-4.8A)
EST  A 596 (-4.4A)
EST  A 596 ( 4.1A)
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.2A)
None
EST  A 596 (-4.0A)
EST  A 596 ( 4.7A)
EST  A 596 ( 4.0A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
0.40A100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
2zkj [PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 4
(Homo
sapiens)
5 / 12GLU A 373
ARG A  64
ILE A 179
GLY A  44
LEU A  41
None
1.09A19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA
(Homo
sapiens)
5 / 12ALA A 272
LEU A 309
ARG A 316
ILE A 428
GLY A 429
9CR  A7223 (-4.2A)
9CR  A7223 ( 4.4A)
9CR  A7223 (-3.7A)
None
None
1.01A20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
3eo3 BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE
(Homo
sapiens)
5 / 12LEU A 625
ALA A 624
LEU A 671
ILE A 678
GLY A 646
None
1.06A23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
3kn1 GOLGI PHOSPHOPROTEIN
3
(Homo
sapiens)
5 / 12LEU A 133
ALA A 136
LEU A 156
ILE A  95
LEU A 103
None
1.05A23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
3sm9 METABOTROPIC
GLUTAMATE RECEPTOR 3
(Homo
sapiens)
5 / 12LEU A  81
ALA A  80
ILE A 117
GLY A  17
HIS A  69
None
0.99A19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1
(Homo
sapiens)
5 / 12ALA D 272
LEU D 309
ARG D 316
ILE D 345
LEU D 436
None
0.95A28.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1
(Homo
sapiens)
5 / 12ALA D 272
LEU D 309
ARG D 316
ILE D 428
GLY D 429
None
0.98A28.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
4rm9 EZRIN
(Homo
sapiens)
5 / 12LEU A 125
ALA A 129
ILE A 115
GLY A 109
LEU A 111
None
0.87A16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
4s15 NUCLEAR RECEPTOR
ROR-ALPHA
(Homo
sapiens)
5 / 12MET A 270
LEU A 273
LEU A 276
ALA A 277
LEU A 422
None
0.60A24.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
4udb MINERALOCORTICOID
RECEPTOR
(Homo
sapiens)
5 / 12LEU A 769
LEU A 772
ALA A 773
LEU A 810
ARG A 817
CV7  A1987 (-4.1A)
CV7  A1987 ( 4.5A)
CV7  A1987 (-3.5A)
CV7  A1987 (-4.0A)
CV7  A1987 (-3.7A)
0.33A27.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
4yub NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE
(Homo
sapiens)
5 / 12LEU A  56
LEU A 114
ALA A 115
LEU A 109
GLY A  59
None
1.02A19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
5cni METABOTROPIC
GLUTAMATE RECEPTOR 2
(Homo
sapiens)
5 / 12LEU A  99
ALA A  98
ILE A 136
GLY A  35
HIS A  87
None
1.00A18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
5gk9 BRD1 PROTEIN
HISTONE
ACETYLTRANSFERASE
KAT7
(Homo
sapiens)
5 / 12MET A 564
LEU A 575
LEU A 573
GLU B  58
LEU A 531
None
1.06A20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2
(Homo
sapiens)
5 / 12LEU A 757
LEU A 754
ALA A 753
LEU A 697
HIS A 708
None
1.01A16.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
5kzn METABOTROPIC
GLUTAMATE RECEPTOR 2
(Homo
sapiens)
5 / 12LEU A  99
ALA A  98
ILE A 136
GLY A  35
HIS A  87
None
0.89A16.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
5toa ESTROGEN RECEPTOR
BETA
(Homo
sapiens)
12 / 12MET A 295
LEU A 298
LEU A 301
ALA A 302
GLU A 305
LEU A 339
MET A 340
ARG A 346
ILE A 376
GLY A 472
HIS A 475
LEU A 476
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.3A)
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
EST  A 601 (-3.9A)
EST  A 601 ( 4.8A)
EST  A 601 (-4.1A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.0A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
0.38A56.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA
(Homo
sapiens)
5 / 12ALA A 272
LEU A 309
ARG A 316
ILE A 428
GLY A 429
9CR  A 503 (-3.5A)
9CR  A 503 (-3.7A)
9CR  A 503 (-3.0A)
None
None
1.09A24.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)
6ez8 FACTOR VIII INTRON
22 PROTEIN
HUNTINGTIN
(Homo
sapiens)
5 / 12LEU B  98
ALA B  94
LEU B 125
HIS A2771
LEU B  71
None
1.09A15.06