BioLiP

PDB

BioLiP

PDB CCD ID:

A1CUC

Number of entries in BioLiP:

Chemical formula:

C6 H6 Cl N O2 S

InChI:

InChI=1S/C6H6ClNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)

InChIKey:

WSYQJNPRQUFCGL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[S](=O)(=O)c1cccc(Cl)c1
OpenEye OEToolkits 3.1.0.0	c1cc(cc(c1)Cl)S(=O)(=O)N
ACDLabs 14.52	O=S(N)(=O)c1cc(Cl)ccc1

Name:

3-chlorobenzene-1-sulfonamide

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).