BioLiP

PDB

BioLiP

PDB CCD ID:

IGF

Number of entries in BioLiP:

Chemical formula:

C7 H11 N O2 S2

InChI:

InChI=1S/C7H11NO2S2/c1-5-4-7(6(2)11-5)12(9,10)8-3/h4,8H,1-3H3

InChIKey:

MQZNMDAQVFXGMG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN[S](=O)(=O)c1cc(C)sc1C
OpenEye OEToolkits 2.0.6	Cc1cc(c(s1)C)S(=O)(=O)NC

Name:

N,2,5-trimethyl-3-thiophenesulfonamide

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).