Ligand ID: FVS


Drugbank ID:
DB00947
(Fulvestrant)


Indication:
For the treatment of hormone receptor positive metastatic breast cancer in postmenopausal women with disease progression following anti-estrogen therapy.

Get human targets for FVS in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'FVS' AND SARS-RELATED PROTEINS ONLY

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 throuh AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		1x7q HLA, A-11
NUCLEOCAPSID PEPTIDE
(Homo
sapiens)		5 / 12
ILE A  23
TYR A  99
PHE C   3
LEU A 126
LEU A 160
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		2amq 3C-LIKE
PROTEINASE

(SARSr-CoV;
synthetic
construct)		5 / 12
TYR B  54
LEU B  87
LEU B  58
LEU D   4
HIS B  41
1.45A21.44
None
None
None
PJE  D   5 ( 4.1A)
PJE  D   5 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		5 / 12
TYR A  88
PHE A 176
TYR A 178
LEU A 189
LEU A 122
1.68A20.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
TYR B  88
PHE B 176
TYR B 178
LEU B 189
LEU B 122
1.66A21.58
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
TYR F  88
PHE F 176
TYR F 178
LEU F 189
LEU F 122
1.58A21.79
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ILE A 171
LEU A  89
LEU A  95
LEU A  50
TRP A  88
1.35A20.86
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ILE A 171
LEU A  89
LEU A  95
LEU A  50
TRP A  88
1.31A21.00
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		2z3c REPLICASE
POLYPROTEIN 1AB
(PP1AB)
(SARSr-CoV;
synthetic
construct)		5 / 12
TYR A  54
LEU A  87
LEU A  58
LEU B 310
HIS A  41
1.45A20.14
None
None
None
Z3E  B 309 ( 4.1A)
ECQ  B 311 (-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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		3aw0 3C-LIKE PROTEINASE
PEPTIDE
ACE-SER-ALA-VAL-LEU-
HIS-H
(SARSr-CoV)		5 / 12
TYR A  54
LEU A  87
LEU A  58
LEU B   5
HIS A  41
1.54A20.14
None
None
None
HSV  B   6 ( 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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		3bgf F26G19 FAB
(Mus
musculus)		5 / 12
ASP H 101
TYR L  91
LEU L  36
LEU L  89
LEU H 100
1.48A17.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		3d0h SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP F 385
ILE F 405
PHE F 329
LEU F 355
LEU F 412
1.67A14.36
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ILE A 171
LEU A  89
LEU A  95
LEU A  50
TRP A  88
1.34A20.86
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		3scl SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP E 385
ILE E 405
PHE E 329
LEU E 355
LEU E 412
1.66A14.40
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.
4J03_A_FVSA603_2
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		4tww 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
TRP A 218
SER B 284
MET A 276
ASN A 277
1.70A20.14
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
TYR D 368
PHE D 514
LEU D 519
TYR D 511
LEU D 329
1.59A22.17
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
TYR D 368
PHE D 514
LEU D 519
TYR D 511
LEU D 329
1.65A22.12
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
TYR A 368
PHE A 514
LEU A 519
TYR A 511
LEU A 329
1.69A21.73
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		5x4r S PROTEIN
(MERS-CoV)		5 / 12
ILE A 120
PHE A 147
LEU A 234
LEU A 187
LEU A 180
1.46A20.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J03_A_FVSA603_2
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 5
TRP C 619
SER C 577
GLN C 599
ASN C 304
1.74A18.26
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		5x5f S PROTEIN
(MERS-CoV)		5 / 12
ILE A 120
PHE A 147
LEU A 234
LEU A 187
LEU A 180
1.44A18.30
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6acg ACE2
(Homo
sapiens)		5 / 12
ILE D 544
PHE D 315
PHE D 308
LEU D 333
HIS D 378
1.69A22.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP C  57
ILE C  46
TYR C 197
LEU C 257
TYR C 195
1.40A18.62
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ASP B  57
ILE B  46
TYR B 197
LEU B 257
TYR B 195
1.49A18.74
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens;
SARSr-CoV)		5 / 12
ILE A  52
TYR A 159
LEU C   8
LEU A 156
HIS A   9
1.21A18.63
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6m1d ACE2
(Homo
sapiens)		5 / 12
ASP D 269
TYR D 279
LEU D 503
LEU D 456
LEU D 267
1.58A22.01
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
TYR A 738
ILE A 724
PHE A 952
TYR C 738
LEU C 735
1.63A18.56
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6nur NSP12
NSP8
(SARSr-CoV)		5 / 12
TYR B 138
ILE B 156
LEU A 673
LEU A 401
LEU B 128
1.62A14.06
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6nus NSP12
(SARSr-CoV)		5 / 12
TYR A 483
ILE A 757
PHE A 471
LEU A 723
LEU A 727
1.35A21.29
None