Ligand ID: 95E


Drugbank ID:
DB00330
(Ethambutol)


Indication:
For use, as an adjunct, in the treatment of pulmonary tuberculosis.

Get human targets for 95E in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '95E' 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.
5NR3_A_95EA401_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3B)		6w4h NSP16
(SARS-CoV-2)		4 / 7
ILE A6951
PHE A6947
ASP A6928
LYS A6968
1.78A17.43
None
ACT  A7104 (-3.8A)
SAM  A7102 (-3.7A)
ACT  A7103 ( 4.0A)
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.
5NR3_A_95EA401_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3B)		6w75 NSP16
(SARS-CoV-2)		4 / 7
ILE C6951
PHE C6947
ASP C6928
LYS C6968
1.80A23.26
None
FMT  C7115 ( 3.5A)
SAM  C7105 ( 3.7A)
FMT  C7108 ( 3.9A)
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.
5NR3_A_95EA401_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3B)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
ILE E  18
ASP E 162
LYS E 158
SER C   5
1.63A19.78
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.
5NR3_A_95EA401_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3B)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
ILE E  18
ASP E 162
LYS E 158
SER C   5
1.50A19.78
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.
5NR3_A_95EA401_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3B)		7btf NSP12
(SARS-CoV-2)		4 / 7
TRP A 162
ASP A 161
LYS A 160
SER A 795
1.77A9.65
None