BioLiP

PDB

BioLiP

PDB CCD ID:

4OS

Number of entries in BioLiP:

Chemical formula:

C7 H8 O4 S

InChI:

InChI=1S/C7H8O4S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3,(H,8,9,10)

InChIKey:

IWYVYUZADLIDEY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	COc1ccc(cc1)S(=O)(=O)O
ACDLabs 12.01	O=S(=O)(O)c1ccc(OC)cc1
CACTVS 3.370	COc1ccc(cc1)[S](O)(=O)=O

Name:

4-methoxybenzenesulfonic acid

ZINC:

ZINC000002567234

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).