Ligand ID: ETV


Drugbank ID:
DB00879
(Emtricitabine)


Indication:
Indicated, in combination with other antiretroviral agents, for the treatment of HIV-1 infection in adults and for postexposure prophylaxis of HIV infection in health care workers and others exposed occupationally or nonoccupationally via percutaneous injury or mucous membrane or nonintact skin contact with blood, tissues, or other body fluids associated with risk for transmission of the virus.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'ETV' AND SARS-COV-2 / COVID-19 STRUCTURES

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.
2NO6_A_ETVA302_1
(DEOXYCYTIDINE KINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		6 / 12
GLU A 143
LEU A  87
MET A  84
TYR A  83
ARG A 138
TYR A  72
1.77A19.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NO6_B_ETVB302_1
(DEOXYCYTIDINE KINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 11
GLU A 143
LEU A  87
MET A  84
TYR A  83
ARG A 138
1.75A19.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NO6_B_ETVB302_1
(DEOXYCYTIDINE KINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 11
GLU C 143
LEU C  87
MET C  84
TYR C  83
ARG C 138
1.74A19.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NO6_A_ETVA302_1
(DEOXYCYTIDINE KINASE)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		6 / 12
GLU C 143
LEU C  87
MET C  84
TYR C  83
ARG C 138
TYR C  72
1.77A19.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NO6_A_ETVA302_1
(DEOXYCYTIDINE KINASE)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 12
ILE B 120
GLU A  50
LEU B 103
ARG B 190
TYR B 149
1.63A20.56
None