BioLiP

PDB

BioLiP

PDB CCD ID:

VBI

Number of entries in BioLiP:

Chemical formula:

C10 H13 Cl N2 O3 S

InChI:

InChI=1S/C10H13ClN2O3S/c1-12-10(14)7-13(17(2,15)16)9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3,(H,12,14)

InChIKey:

OERNFHOHISKBJE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CNC(=O)CN(c1cccc(c1)Cl)S(=O)(=O)C
ACDLabs 12.01	Clc1cc(ccc1)N(CC(=O)NC)S(C)(=O)=O
CACTVS 3.385	CNC(=O)CN(c1cccc(Cl)c1)[S](C)(=O)=O

Name:

N~2~-(3-chlorophenyl)-N~2~-(methanesulfonyl)-N-methylglycinamide

ZINC:

ZINC000022273254

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).