BioLiP

PDB

BioLiP

PDB CCD ID:

BSZ

Number of entries in BioLiP:

Chemical formula:

C7 H7 Cl O4 S

InChI:

InChI=1S/C7H7ClO4S/c1-12-7-3-2-5(4-6(7)8)13(9,10)11/h2-4H,1H3,(H,9,10,11)

InChIKey:

ZHGMKNONEQMBRL-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Clc1cc(ccc1OC)S(=O)(=O)O
CACTVS 3.370	COc1ccc(cc1Cl)[S](O)(=O)=O
OpenEye OEToolkits 1.7.2	COc1ccc(cc1Cl)S(=O)(=O)O

Name:

3-chloro-4-methoxybenzenesulfonic acid

ZINC:

ZINC000033748314

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).