BioLiP

PDB

BioLiP

PDB CCD ID:

6RO

Number of entries in BioLiP:

Chemical formula:

C7 H8 Cl N O2 S

InChI:

InChI=1S/C7H8ClNO2S/c1-12(10,11)9-7-4-2-6(8)3-5-7/h2-5,9H,1H3

InChIKey:

TZBQEYJPVLKASB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[S](=O)(=O)Nc1ccc(Cl)cc1
OpenEye OEToolkits 2.0.5	CS(=O)(=O)Nc1ccc(cc1)Cl

Name:

~{N}-(4-chlorophenyl)methanesulfonamide

ZINC:

ZINC000000093610

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).