BioLiP

PDB

BioLiP

PDB CCD ID:

HTU

Number of entries in BioLiP:

Chemical formula:

C6 H6 O S

InChI:

InChI=1S/C6H6OS/c7-5-1-3-6(8)4-2-5/h1-4,7-8H

InChIKey:

BXAVKNRWVKUTLY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(ccc1O)S
ACDLabs 12.01 CACTVS 3.370	Oc1ccc(S)cc1

Name:

4-sulfanylphenol

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).