BioLiP

PDB

BioLiP

PDB CCD ID:

FC5

Number of entries in BioLiP:

Chemical formula:

C9 H6 O2 S

InChI:

InChI=1S/C9H6O2S/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5,10H

InChIKey:

FGHZVFOCIYABBE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1cc2c(cc1O)C=CC(=S)O2
CACTVS 3.385	Oc1ccc2OC(=S)C=Cc2c1
ACDLabs 12.01	S=C2Oc1ccc(O)cc1C=C2

Name:

6-hydroxy-2H-chromene-2-thione

ChEMBL:

CHEMBL1957177

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).