BioLiP

PDB

BioLiP

PDB CCD ID:

MJ2

Number of entries in BioLiP:

Chemical formula:

C8 H11 N O2 S

InChI:

InChI=1S/C8H11NO2S/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11)

InChIKey:

BRPHYVPAIXLWED-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cc(cc(c1)S(=O)(=O)N)C
CACTVS 3.385	Cc1cc(C)cc(c1)[S](N)(=O)=O

Name:

3,5-dimethylbenzenesulfonamide

ZINC:

ZINC000037466972

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).