BioLiP

PDB

BioLiP

PDB CCD ID:

6MH

Number of entries in BioLiP:

Chemical formula:

C6 H7 N O S

InChI:

InChI=1S/C6H7NOS/c1-5-3-2-4-6(9)7(5)8/h2-4,8H,1H3

InChIKey:

KVLOEFKBTCCASR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 1.7.6	CC1=CC=CC(=S)N1O
ACDLabs 12.01	S=C1C=CC=C(N1O)C

Name:

1-hydroxy-6-methylpyridine-2(1H)-thione

ChEMBL:

CHEMBL3326432

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).