BioLiP

PDB

BioLiP

PDB CCD ID:

A1CDM

Number of entries in BioLiP:

Chemical formula:

C7 H7 N O2 S

InChI:

InChI=1S/C7H7NO2S/c9-11(10)7-4-2-1-3-6(7)5-8-11/h1-4,8H,5H2

InChIKey:

GVYVHZKTSVDMNT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	c1ccc2c(c1)CNS2(=O)=O
ACDLabs 14.52	O=S1(=O)NCc2ccccc21
CACTVS 3.385	O=[S]1(=O)NCc2ccccc12

Name:

2,3-dihydro-1H-1lambda~6~,2-benzothiazole-1,1-dione

ChEMBL:

CHEMBL81566

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).