Ligand ID: 3TC


Drugbank ID:
DB00709
(Lamivudine)


Indication:
For the treatment of HIV infection and chronic hepatitis B (HBV).

Get human targets for 3TC in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '3TC' 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.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
(SARSr-CoV)		5 / 12
ILE H   7
GLU H  28
LEU H  47
TYR H  20
ALA H  26
1.50A21.68
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.
2NOA_B_3TCB302_1
(DEOXYCYTIDINE KINASE)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
(SARSr-CoV)		5 / 11
ILE H   7
GLU H  28
LEU H  47
TYR H  20
ALA H  26
1.44A21.68
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.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)		3d0i ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
GLU A  35
TYR E 484
GLN A  37
ALA A  36
ARG E 479
1.54A19.13
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.
2NOA_B_3TCB302_1
(DEOXYCYTIDINE KINASE)		3d0i ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
GLU A  35
TYR E 484
GLN A  37
ALA A  36
ARG E 479
1.55A19.13
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.
2NOA_B_3TCB302_1
(DEOXYCYTIDINE KINASE)		3sck ACE2
SPIKE GLYCOPROTEIN
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
GLU B  35
TYR F 484
GLN B  37
ALA B  36
ARG F 479
1.60A18.09
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.
2NOA_B_3TCB302_1
(DEOXYCYTIDINE KINASE)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
GLU D 135
LEU D 151
TYR D  84
ALA D 140
ASP D 144
1.66A22.12
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.
2NOA_B_3TCB302_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.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
ILE B 115
GLU B 162
LEU B 224
ARG B 126
PHE B 130
1.64A12.60
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.
2NOA_B_3TCB302_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
1.62A13.00
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.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ILE B 117
GLU B 162
PHE B 130
ALA B 156
PHE B 153
1.52A13.00
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.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ILE B 116
PHE B  89
ALA B  91
ARG B 183
PHE B 185
1.63A11.89
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.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ILE B 125
TRP B 101
PHE B 187
ARG B 183
PHE B 220
1.57A11.89
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.
2NOA_B_3TCB302_1
(DEOXYCYTIDINE KINASE)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
ILE A 115
GLU A 162
LEU A 224
GLN A 112
PHE A 130
1.70A11.89
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.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)		6nur NSP12
(SARSr-CoV)		5 / 12
LEU A 749
MET A 755
TYR A 479
PHE A 753
ALA A 777
1.64A15.38
None