BioLiP

PDB

BioLiP

PDB CCD ID:

Z2F

Number of entries in BioLiP:

Chemical formula:

C7 H6 N2 O2 S2

InChI:

InChI=1S/C7H6N2O2S2/c8-13(10,11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H2,8,10,11)

InChIKey:

KRRLILAOGRCMFH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1S(=O)(=O)N)scn2
CACTVS 3.385	N[S](=O)(=O)c1ccc2ncsc2c1
ACDLabs 12.01	NS(=O)(=O)c1ccc2ncsc2c1

Name:

1,3-benzothiazole-6-sulfonamide

ZINC:

ZINC000045235862

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).