BioLiP

PDB

BioLiP

PDB CCD ID:

A1EFE

Number of entries in BioLiP:

Chemical formula:

C7 H6 N2 O S

InChI:

InChI=1S/C7H6N2OS/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-3,10H,4H2

InChIKey:

XJUBKVSCNJIWMB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OCc1ccc2nsnc2c1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1CO)nsn2

Name:

2,1,3-benzothiadiazol-5-ylmethanol;
89795-51-7

ChEMBL:

CHEMBL3792871

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).