BioLiP

PDB

BioLiP

PDB CCD ID:

P6H

Number of entries in BioLiP:

Chemical formula:

C8 H10 O3 S

InChI:

InChI=1S/C8H10O3S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3

InChIKey:

RKXFAGRISWUJGO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CS(=O)(=O)c1ccccc1CO
CACTVS 3.385	C[S](=O)(=O)c1ccccc1CO

Name:

(2-methylsulfonylphenyl)methanol

ZINC:

ZINC000090728171

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).