BioLiP

PDB

BioLiP

PDB CCD ID:

ZFI

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O3 S

InChI:

InChI=1S/C9H11NO3S/c1-7(11)10-8-5-3-4-6-9(8)14(2,12)13/h3-6H,1-2H3,(H,10,11)

InChIKey:

NGWCPCSZLLJKPD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)Nc1ccccc1S(=O)(=O)C
CACTVS 3.385	CC(=O)Nc1ccccc1[S](C)(=O)=O
ACDLabs 12.01	O=S(C)(=O)c1ccccc1NC(C)=O

Name:

N-[2-(methanesulfonyl)phenyl]acetamide

ZINC:

ZINC000000346135

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).