BioLiP

PDB

BioLiP

PDB CCD ID:

A1BKZ

Number of entries in BioLiP:

Chemical formula:

C18 H16 N2 O3 S2

InChI:

InChI=1S/C18H16N2O3S2/c1-25(22,23)20-16-9-5-8-15(11-16)19-18(21)17-10-14(12-24-17)13-6-3-2-4-7-13/h2-12,20H,1H3,(H,19,21)

InChIKey:

GMWBWXRCKWTKAO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CS(=O)(=O)Nc1cccc(c1)NC(=O)c2cc(cs2)c3ccccc3
CACTVS 3.385	C[S](=O)(=O)Nc1cccc(NC(=O)c2scc(c2)c3ccccc3)c1
ACDLabs 14.52	CS(=O)(=O)Nc1cccc(c1)NC(=O)c1cc(cs1)c1ccccc1

Name:

N-[3-(methanesulfonamido)phenyl]-4-phenylthiophene-2-carboxamide

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).