BioLiP

PDB

BioLiP

PDB CCD ID:

W6G

Number of entries in BioLiP:

Chemical formula:

C8 H7 N3 O2 S2

InChI:

InChI=1S/C8H7N3O2S2/c12-15(13,7-4-2-1-3-5-7)11-8-10-9-6-14-8/h1-6H,(H,10,11)

InChIKey:

CQVBWAMMROBBPU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)S(=O)(=O)Nc2nncs2
CACTVS 3.385	O=[S](=O)(Nc1scnn1)c2ccccc2
ACDLabs 12.01	c1(ccccc1)S(Nc2scnn2)(=O)=O

Name:

N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

ZINC:

ZINC000000438614

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).