Ligand ID: 9V2


Drugbank ID:
DB00593
(Ethosuximide)


Indication:
For the treatment of petit mal epilepsy.

Get human targets for 9V2 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '9V2' 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.
5OH3_A_9V2A202_0
(CEREBLON ISOFORM 4)		1x7q HLA, A-11
NUCLEOCAPSID PEPTIDE
(Homo
sapiens)		4 / 7
ASN A  66
PRO C   4
PHE C   3
TYR A 171
1.71A19.92
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.
5OH3_A_9V2A202_0
(CEREBLON ISOFORM 4)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		4 / 7
ASN S 473
PRO S 462
PHE S 460
TYR A 442
1.64A19.69
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.
5OH3_A_9V2A202_0
(CEREBLON ISOFORM 4)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ASN B1090
PRO B1051
TRP A 868
TYR A 886
1.75A8.08
None