BioLiP

PDB

BioLiP

PDB CCD ID:

TM7

Number of entries in BioLiP:

Chemical formula:

C6 H6 O2 S

InChI:

InChI=1S/C6H6O2S/c1-4-2-6(9)5(7)3-8-4/h2-3,7H,1H3

InChIKey:

FKPXXEKBFZKNPV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 1.7.6	CC1=CC(=S)C(=CO1)O
ACDLabs 12.01	S=C1C=C(OC=C1O)C

Name:

5-hydroxy-2-methyl-4H-pyran-4-thione

ZINC:

ZINC000098209454

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).