BioLiP

PDB

BioLiP

PDB CCD ID:

Q9I

Number of entries in BioLiP:

Chemical formula:

C8 H10 Cl N O3 S

InChI:

InChI=1S/C8H10ClNO3S/c1-10(13-2)14(11,12)8-5-3-7(9)4-6-8/h3-6H,1-2H3

InChIKey:

RVRVDFJSEKCDKN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CON(C)[S](=O)(=O)c1ccc(Cl)cc1
OpenEye OEToolkits 3.1.0.0	CN(OC)S(=O)(=O)c1ccc(cc1)Cl

Name:

4-chloranyl-~{N}-methoxy-~{N}-methyl-benzenesulfonamide

ZINC:

ZINC000001678442

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).