BioLiP

PDB

BioLiP

PDB CCD ID:

TH0

Number of entries in BioLiP:

Chemical formula:

C6 H6 O2 S

InChI:

InChI=1S/C6H6O2S/c7-4-1-2-6(9)5(8)3-4/h1-3,7-9H

InChIKey:

XFTQIEMOLHJTFV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04 CACTVS 3.341	Oc1ccc(S)c(O)c1
OpenEye OEToolkits 1.5.0	c1cc(c(cc1O)O)S

Name:

4-MERCAPTOBENZENE-1,3-DIOL

ZINC:

ZINC000039247121

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).