BioLiP

PDB

BioLiP

PDB CCD ID:

4HO

Number of entries in BioLiP:

Chemical formula:

C6 H7 N O2

InChI:

InChI=1S/C6H7NO2/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3

InChIKey:

AFXHVMLWGXYZJA-UHFFFAOYSA-N

SMILES:

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

Name:

1-hydroxy-4-methylpyridin-2(1H)-one

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).