BioLiP

PDB

BioLiP

PDB CCD ID:

IOX

Number of entries in BioLiP:

Chemical formula:

C7 H8 O3 S

InChI:

InChI=1S/C7H8O3S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9,10)

InChIKey:

NIXKBAZVOQAHGC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1ccc(cc1)CS(=O)(=O)O
ACDLabs 12.01	O=S(=O)(O)Cc1ccccc1
CACTVS 3.370	O[S](=O)(=O)Cc1ccccc1

Name:

phenylmethanesulfonic acid

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).