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-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.
5NR3_A_95EA401_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3B)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ILE H  31
PHE I   9
LYS F  24
SER J  29
1.62A16.91
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.
5NR3_A_95EA401_0
(DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3B)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 7
ILE H 321
PHE H 315
LYS G 339
SER G 319
1.69A21.74
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)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		4 / 7
ILE B 213
TRP B 207
LYS B   1
SER B 284
1.74A16.88
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)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
ILE B 474
PHE B 445
TRP B 520
ASP B 515
1.52A13.66
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)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 7
ILE C  87
TRP C 227
ASP C 172
SER C 230
1.75A13.66
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)		5x5f S PROTEIN
(MERS-CoV)		4 / 7
ILE C1123
PHE C 788
ASP C1182
SER C1144
1.12A9.34
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)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ILE B 573
PHE A 837
ASP B 554
SER B 556
1.64A8.20
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)		6ack ACE2
(Homo
sapiens)		4 / 7
ILE D 223
TRP D 461
ASP D 198
LYS D 465
1.72A15.45
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)		6m1d ACE2
(Homo
sapiens)		4 / 7
ILE D 307
PHE D 308
LYS D 363
SER D 331
1.48A12.06
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)		6nur NSP12
(SARSr-CoV)		4 / 7
TRP A 162
ASP A 161
LYS A 160
SER A 795
1.79A9.57
None