BioLiP

PDB

BioLiP

PDB CCD ID:

3MH

Number of entries in BioLiP:

Chemical formula:

C6 H7 N O S

InChI:

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

InChIKey:

YFGDWYKLGMSVNE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC1=CC=CN(C1=S)O
ACDLabs 12.01	S=C1C(=CC=CN1O)C
CACTVS 3.385	CC1=CC=CN(O)C1=S

Name:

1-hydroxy-3-methylpyridine-2(1H)-thione

ChEMBL:

CHEMBL3326429

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).