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'

Click here for results that match SARS-Cov-2 / COVID-19 structures only
Click here for results that match SARS-related structures only


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		 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)		6lu7 MAIN PROTEASE

(SARS-CoV-2;
synthetic
construct)		5 / 12
TYR A  54
LEU A  87
LEU A  58
LEU C   4
HIS A  41
1.46A19.64
None
None
None
PJE  C   5 ( 4.4A)
PJE  C   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)		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)		6m71 NSP12
(SARS-CoV-2)		5 / 12
TYR A 483
ILE A 757
PHE A 471
LEU A 723
LEU A 727
1.46A20.77
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6m71 NSP12
(SARS-CoV-2)		5 / 12
TYR A 175
PHE A 165
LEU A 172
TYR A 787
LEU A 127
1.79A20.77
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.
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
Potential target for repurposing, i.e. matched protein structure has less than 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)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASP C 985
TYR A 380
TYR B 369
PHE B 377
LEU B 387
1.60A17.74
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)		6w4h NSP16
(SARS-CoV-2)		5 / 12
ILE A6969
LEU A6887
LEU A6893
LEU A6848
TRP A6886
1.33A19.65
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
TYR A6950
ILE A7088
LEU A7050
LEU A6893
TRP A6886
1.77A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
TYR A6979
LEU A6887
LEU A6893
LEU A6848
TRP A6886
1.31A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
ILE A6969
LEU A6887
LEU A6893
LEU A6848
TRP A6886
1.33A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
TYR A6930
ILE A6969
LEU A6893
LEU A6887
TYR A6845
1.56A
KCX  A6935 ( 4.7A)
None
None
None
SAM  A7104 (-4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
ILE A7088
LEU A7050
LEU A7052
LEU A6893
TRP A6886
1.72A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
TYR A6950
ILE A6967
LEU A7070
LEU A6981
HIS A6984
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6w75 NSP16
(SARS-CoV-2)		5 / 12
TYR C6979
LEU C6887
LEU C6893
LEU C6848
TRP C6886
1.33A13.85
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.
4J03_A_FVSA603_2
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6w75 NSP16
(SARS-CoV-2)		4 / 5
SER C6831
GLN C6847
MET C6840
ASN C6841
1.73A13.85
None
None
None
SAM  C7105 ( 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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6w75 NSP16
(SARS-CoV-2)		5 / 12
ILE A6969
LEU A6887
LEU A6893
LEU A6848
TRP A6886
1.35A13.85
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6w75 NSP16
(SARS-CoV-2)		5 / 12
TYR A6950
ILE A7088
LEU A7050
LEU A6893
TRP A6886
1.73A13.85
FMT  A7109 ( 4.9A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6w75 NSP16
(SARS-CoV-2)		5 / 12
TYR C6930
ILE C6969
LEU C6893
LEU C6887
TYR C6845
1.57A13.85
FMT  C7107 ( 4.3A)
None
None
None
SAM  C7105 ( 4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6w75 NSP16
(SARS-CoV-2)		5 / 12
TYR A6979
LEU A6887
LEU A6893
LEU A6848
TRP A6886
1.34A13.85
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6w75 NSP16
(SARS-CoV-2)		5 / 12
TYR C6950
ILE C7088
LEU C7050
LEU C6893
TRP C6886
1.72A13.85
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6w75 NSP16
(SARS-CoV-2)		5 / 12
ASP C6923
ILE C6967
PHE C6985
LEU C7078
LEU C6959
1.78A13.85
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6w75 NSP16
(SARS-CoV-2)		5 / 12
ASP A6923
ILE A6967
PHE A6985
LEU A7078
LEU A6959
1.78A13.85
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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6w75 NSP16
(SARS-CoV-2)		5 / 12
TYR A6930
ILE A6969
LEU A6893
LEU A6887
TYR A6845
1.57A13.85
FMT  A7103 ( 4.4A)
None
None
None
SAM  A7102 ( 4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6w75 NSP16
(SARS-CoV-2)		5 / 12
ILE C6969
LEU C6887
LEU C6893
LEU C6848
TRP C6886
1.34A13.85
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.
4J03_A_FVSA603_2
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6w75 NSP16
(SARS-CoV-2)		4 / 5
SER A6831
GLN A6847
MET A6840
ASN A6841
1.73A13.85
None
None
None
SAM  A7102 ( 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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
ASP C6923
ILE C6967
PHE C6985
LEU C7078
LEU C6959
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
ILE C6969
LEU C6887
LEU C6893
LEU C6848
TRP C6886
1.34A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
TYR A6979
LEU A6887
LEU A6893
LEU A6848
TRP A6886
1.33A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
TYR C6979
LEU C6887
LEU C6893
LEU C6848
TRP C6886
1.32A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
ILE A6969
LEU A6887
LEU A6893
LEU A6848
TRP A6886
1.35A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
TYR C6930
ILE C6969
LEU C6893
LEU C6887
TYR C6845
1.57A
FMT  C7104 ( 4.2A)
None
None
None
SAH  C7102 (-4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
TYR A6930
ILE A6969
LEU A6893
LEU A6887
TYR A6845
1.57A
FMT  A7103 ( 4.3A)
None
None
None
SAH  A7102 (-4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J03_A_FVSA603_2
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 5
SER A6831
GLN A6847
MET A6840
ASN A6841
1.72A19.65
None
None
None
SAH  A7102 (-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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
TYR C6950
ILE C7088
LEU C7050
LEU C6893
TRP C6886
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
ASP A6923
ILE A6967
PHE A6985
LEU A7078
LEU A6959
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
TYR A6950
ILE A7088
LEU A7050
LEU A6893
TRP A6886
1.71A
None
None
FMT  A7107 (-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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6wkq NSP16
(SARS-CoV-2)		5 / 12
TYR C6950
ILE C7088
LEU C7050
LEU C6893
TRP C6886
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6wkq NSP16
(SARS-CoV-2)		5 / 12
ILE A6969
LEU A6887
LEU A6893
LEU A6848
TRP A6886
1.34A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6wkq NSP16
(SARS-CoV-2)		4 / 5
SER C6831
GLN C6847
MET C6840
ASN C6841
1.73A19.65
None
None
None
FMT  C7112 ( 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.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6wkq NSP16
(SARS-CoV-2)		5 / 12
ASP A6923
ILE A6967
PHE A6985
LEU A7078
LEU A6959
1.77A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6wkq NSP16
(SARS-CoV-2)		5 / 12
TYR C6979
LEU C6887
LEU C6893
LEU C6848
TRP C6886
1.33A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6wkq NSP16
(SARS-CoV-2)		5 / 12
ILE C6969
LEU C6887
LEU C6893
LEU C6848
TRP C6886
1.33A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6wkq NSP16
(SARS-CoV-2)		5 / 12
TYR A6979
LEU A6887
LEU A6893
LEU A6848
TRP A6886
1.33A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6wkq NSP16
(SARS-CoV-2)		5 / 12
ASP C6923
ILE C6967
PHE C6985
LEU C7078
LEU C6959
1.77A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6wkq NSP16
(SARS-CoV-2)		5 / 12
TYR A6950
ILE A7088
LEU A7050
LEU A6893
TRP A6886
1.73A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6wkq NSP16
(SARS-CoV-2)		5 / 12
TYR A6930
ILE A6969
LEU A6893
LEU A6887
TYR A6845
1.58A
FMT  A7105 ( 4.4A)
None
None
None
SFG  A7103 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6wkq NSP16
(SARS-CoV-2)		5 / 12
TYR C6930
ILE C6969
LEU C6893
LEU C6887
TYR C6845
1.57A
FMT  C7104 ( 4.3A)
None
None
None
SFG  C7103 ( 4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
TYR A6930
ILE A6969
LEU A6893
LEU A6887
TYR A6845
1.60A
GTA  A7102 ( 3.9A)
None
None
None
SAH  A7101 (-4.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
TYR A6979
LEU A6887
LEU A6893
LEU A6848
TRP A6886
1.31A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
ILE A6969
LEU A6887
LEU A6893
LEU A6848
TRP A6886
1.33A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
TYR A6950
ILE A7088
LEU A7050
LEU A6893
TRP A6886
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASP E 398
ILE E 418
PHE E 342
LEU E 368
LEU E 425
1.77A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASP E 398
ILE E 418
PHE E 342
LEU E 368
LEU E 425
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASP E 398
ILE E 418
PHE E 342
LEU E 368
LEU E 425
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASP A 398
ILE A 418
PHE A 342
LEU A 368
LEU A 425
1.77A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		7bqy MAIN PROTEASE

(SARS-CoV-2;
synthetic
construct)		5 / 12
TYR A  54
LEU A  87
LEU A  58
LEU C   4
HIS A  41
1.48A
None
None
None
PJE  C   5 ( 4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		7btf NSP12
(SARS-CoV-2)		5 / 12
TYR A 217
PHE A 287
LEU A 251
LEU A 316
LEU A 127
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		7btf NSP12
NSP8
(SARS-CoV-2)		5 / 12
TYR B 138
ILE B 156
LEU A 673
LEU A 401
LEU B 128
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		7btf NSP12
(SARS-CoV-2)		5 / 12
TYR A 483
ILE A 757
PHE A 471
LEU A 723
LEU A 727
1.44A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
TYR A 483
ILE A 757
PHE A 471
LEU A 723
LEU A 727
1.52A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		7bv1 NSP12
NSP8
(SARS-CoV-2)		5 / 12
TYR B 138
ILE B 156
LEU A 673
LEU A 401
LEU B 128
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
TYR A 483
ILE A 757
PHE A 471
LEU A 723
LEU A 727
1.49A
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		7bv2 NSP12
NSP8
(SARS-CoV-2)		5 / 12
TYR B 138
ILE B 156
LEU A 673
LEU A 401
LEU B 128
1.61A
None