Ligand ID: VPX


Drugbank ID:
DB09030
(Vorapaxar)


Indication:
Vorapaxar is indicated for the reduction of thrombotic cardiovascular events in patients with a history of myocardial infarction (MI) or peripheral arterial disease (PAD). It is usually co-administered with acetylsalicylic acid (ASA) and/or clopidogrel, and should therefore be administered as an addition to these medications as it has not been studied alone.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'VPX' 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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU B 291
LEU B 118
LEU B 119
ALA B 140
ALA B 145
1.41A19.58
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		2g9t ORF1A POLYPROTEIN
(SARSr-CoV)		5 / 12
HIS O  80
LEU O  14
LEU W  75
ALA W  26
ALA W  24
1.38A15.58
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		3e9s NSP3
(SARSr-CoV)		5 / 12
LEU A 291
LEU A 118
LEU A 119
ALA A 140
ALA A 145
1.43A19.71
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
LEU A 250
PHE A 230
LEU A 271
LEU A 268
TYR A 239
ALA A 286
1.75A18.46
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		3i6g HLA, A-2
(Homo
sapiens)		5 / 12
TYR A  84
TYR A  85
TYR A 116
ALA A 150
ALA A 149
1.45A20.58
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
LEU A 291
LEU A 118
LEU A 119
ALA A 140
ALA A 145
1.42A19.54
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
LEU A 291
LEU A 118
LEU A 119
ALA A 140
ALA A 145
1.44A20.37
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU A 291
LEU A 118
LEU A 119
ALA A 140
ALA A 145
1.37A20.37
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
TYR A 494
LEU A 519
LEU A 442
ALA A 394
ALA A 396
1.42A20.39
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU D 291
LEU D 118
LEU D 119
ALA D 140
ALA D 145
1.34A19.71
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
LEU C 846
LEU B 681
ALA C 857
ALA C 858
TYR C 855
1.35A16.86
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU C 846
LEU A 681
ALA C 857
ALA C 858
TYR C 855
1.40A17.95
LEU  C 846 ( 0.6A)
LEU  A 681 ( 0.6A)
ALA  C 857 ( 0.0A)
ALA  C 858 ( 0.0A)
TYR  C 855 ( 1.3A)
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		5y3e REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
LEU A 291
LEU A 118
LEU A 119
ALA A 140
ALA A 145
1.45A20.16
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU C 846
LEU A 681
ALA C 857
ALA C 858
TYR C 855
1.20A17.37
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU C 846
LEU B 681
ALA C 857
ALA C 858
TYR C 855
1.36A17.55
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
LEU C 846
LEU B 681
ALA C 857
ALA C 858
TYR C 855
1.37A16.91
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens;
SARSr-CoV)		5 / 12
TYR A 123
LEU C   8
LEU A  78
LEU A  81
ALA A  11
1.44A19.17
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		6 / 12
LEU A  96
LEU A 111
PHE A 514
LEU A  85
LEU A  88
ALA A 498
1.64A20.39
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		6m1d ACE2
(Homo
sapiens)		5 / 12
TYR B 183
TYR B 180
LEU B 120
TYR B 510
TYR B 199
1.46A19.27
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
LEU B 846
LEU C 681
ALA B 857
ALA B 858
TYR B 855
1.44A16.98
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		6nur NSP12
(SARSr-CoV)		5 / 12
PHE A 157
LEU A 146
TYR A 156
ALA A 176
TYR A 175
1.46A20.15
None