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-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.
2NO6_A_ETVA302_1
(DEOXYCYTIDINE KINASE)		1uk4 3C-LIKE PROTEINASE
5-MER PEPTIDE OF
INHIBITOR
(SARSr-CoV)		5 / 12
ILE A 136
LEU A 167
GLN G   5
PHE A 140
TYR A 161
1.57A19.71
None
None
ATO  A1006 (-4.6A)
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.
2NO6_A_ETVA302_1
(DEOXYCYTIDINE KINASE)		2q6g POLYPEPTIDE CHAIN
REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
ILE A 136
LEU A 167
GLN C   6
PHE A 140
TYR A 161
1.44A19.71
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.
2NO6_A_ETVA302_1
(DEOXYCYTIDINE KINASE)		4mm3 PAPAIN-LIKE
PROTEINASE
(SARSr-CoV)		5 / 12
LEU B  88
MET B  85
TYR B  84
ARG B 139
TYR B  73
1.77A22.12
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.
2NO6_A_ETVA302_1
(DEOXYCYTIDINE KINASE)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
LEU B  88
MET B  85
TYR B  84
ARG B 139
TYR B  73
1.77A22.12
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.
2NO6_A_ETVA302_1
(DEOXYCYTIDINE KINASE)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
ILE C 455
LEU C 448
ARG C 342
ASP C 385
TYR C 338
1.57A12.60
None
None
None
None
NAG  A1311 (-4.8A)
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)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 11
ILE B 115
GLU B 162
LEU B 224
ARG B 126
PHE B 130
1.68A12.60
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)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ILE C 455
LEU C 448
ARG C 342
ARG C 453
ASP C 385
1.61A13.00
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.
2NO6_B_ETVB302_1
(DEOXYCYTIDINE KINASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
ILE A 115
GLU A 162
LEU A 224
GLN A 112
PHE A 130
1.67A11.89
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)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ILE A 115
GLU A 162
LEU A 224
GLN A 112
PHE A 130
1.68A11.89
None