BioLiP

PDB

BioLiP

PDB CCD ID:

OBP

Number of entries in BioLiP:

Chemical formula:

C12 H10 O3 S

InChI:

InChI=1S/C12H10O3S/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16(14)15/h1-8,13H,(H,14,15)

InChIKey:

HPKSNFTYZHYEKV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.5	c1ccc(c(c1)c2ccccc2[S@@](=O)O)O
CACTVS 3.385	Oc1ccccc1c2ccccc2[S](O)=O
OpenEye OEToolkits 1.7.5	c1ccc(c(c1)c2ccccc2S(=O)O)O
ACDLabs 10.04	O=S(O)c2c(c1ccccc1O)cccc2

Name:

2'-HYDROXY-1,1'-BIPHENYL-2-SULFINIC ACID;
2'-HYDROXYBIPHENYL-2-SULFINIC ACID

DrugBank:

DB08319

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).