BioLiP

PDB

BioLiP

PDB CCD ID:

7GC

Number of entries in BioLiP:

Chemical formula:

C11 H11 N3 O3 S2

InChI:

InChI=1S/C11H11N3O3S2/c1-8-2-4-9(5-3-8)19(16,17)14-10(15)13-11-12-6-7-18-11/h2-7H,1H3,(H2,12,13,14,15)

InChIKey:

ZXPLKYLPCUVOFS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2nccs2
CACTVS 3.385	Cc1ccc(cc1)[S](=O)(=O)NC(=O)Nc2sccn2
ACDLabs 12.01	Cc1ccc(cc1)S(NC(Nc2sccn2)=O)(=O)=O

Name:

4-methyl-N-(thiazol-2-ylcarbamoyl)benzenesulfonamide;
4-methyl-N-[(1,3-thiazol-2-yl)carbamoyl]benzene-1-sulfonamide

ChEMBL:

CHEMBL1707026

ZINC:

ZINC000000984004

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).