BioLiP

PDB

BioLiP

PDB CCD ID:

0OC

Number of entries in BioLiP:

Chemical formula:

C6 H9 N O2 S2

InChI:

InChI=1S/C6H9NO2S2/c1-7(2)11(8,9)6-3-4-10-5-6/h3-5H,1-2H3

InChIKey:

ULWLGURUKSRLMX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CN(C)S(=O)(=O)c1ccsc1
CACTVS 3.370	CN(C)[S](=O)(=O)c1cscc1
ACDLabs 12.01	O=S(=O)(N(C)C)c1ccsc1

Name:

N,N-dimethylthiophene-3-sulfonamide

ZINC:

ZINC000013466587

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).