Ligand ID: H4C


Drugbank ID:
DB09166
(Etizolam)


Indication:
Etizolam (marketed under the brand name Etilaam, Etizola, Sedekopan, Etizest, Pasaden or Depas) is a benzodiazepine analog. The etizolam molecule differs from a benzodiazepine in that the benzene ring has been replaced by a thiophene ring, making the drug a thienodiazepine. It possesses amnesic, anxiolytic, anticonvulsant, hypnotic, sedative and skeletal muscle relaxant properties. Etizolam is not authorized for medical use in the U.S. However, it currently remains unscheduled and is legal for research purposes.

Get human targets for H4C in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'H4C' 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.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 9
GLN C  36
VAL C  34
LEU C  30
LEU E  30
ILE B  12
1.65A20.75
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.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
GLN B 936
VAL B 934
LEU B 930
LEU C 930
ILE D1161
1.70A14.40
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.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 9
GLN A 142
VAL A 165
LEU A  13
LEU A  11
ILE A 154
1.71A19.57
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.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		5x5f S PROTEIN
(MERS-CoV)		5 / 9
PRO A 903
GLN A 927
VAL A 934
LEU A1033
ASN A1132
1.38A5.81
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.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6nus NSP8
(SARSr-CoV)		5 / 9
GLN B 158
VAL B 167
LEU B 184
LEU B 180
ASN B 173
1.75A17.33
None