BioLiP

PDB

BioLiP

PDB CCD ID:

56F

Number of entries in BioLiP:

Chemical formula:

C8 H10 Cl N O2 S

InChI:

InChI=1S/C8H10ClNO2S/c1-10-13(11,12)6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3

InChIKey:

YPYACBWYLBGTPU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CNS(=O)(=O)Cc1ccc(cc1)Cl
ACDLabs 12.01	N(C)S(Cc1ccc(cc1)Cl)(=O)=O
CACTVS 3.385	CN[S](=O)(=O)Cc1ccc(Cl)cc1

Name:

1-(4-chlorophenyl)-N-methylmethanesulfonamide

ZINC:

ZINC000001057108

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).