BioLiP

PDB

BioLiP

PDB CCD ID:

I9L

Number of entries in BioLiP:

Chemical formula:

C8 H4 Cl N3 S

InChI:

InChI=1S/C8H4ClN3S/c9-5-1-2-6-7(3-5)13-8-11-10-4-12(6)8/h1-4H

InChIKey:

HBTRVOWZNDAHAF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1Cl)sc3n2cnn3
CACTVS 3.385	Clc1ccc2n3cnnc3sc2c1

Name:

6-chloranyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).