BioLiP

PDB

BioLiP

PDB CCD ID:

I6D

Number of entries in BioLiP:

Chemical formula:

C9 H7 N3 S

InChI:

InChI=1S/C9H7N3S/c1-6-2-3-8-7(4-6)12-5-10-11-9(12)13-8/h2-5H,1H3

InChIKey:

AYAUSTLAUXOBIN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccc2c(c1)n3cnnc3s2
CACTVS 3.385	Cc1ccc2sc3nncn3c2c1

Name:

7-methyl-[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).