BioLiP

PDB

BioLiP

PDB CCD ID:

PK6

Number of entries in BioLiP:

Chemical formula:

C5 H7 N O2 S2

InChI:

InChI=1S/C5H7NO2S2/c1-6-10(7,8)5-3-2-4-9-5/h2-4,6H,1H3

InChIKey:

CTIGHRXLNNYNGU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CNS(=O)(=O)c1cccs1
CACTVS 3.385	CN[S](=O)(=O)c1sccc1

Name:

N-methyl-2-thiophenesulfonamide

ZINC:

ZINC000000249469

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).