BioLiP

PDB

BioLiP

PDB CCD ID:

7RE

Number of entries in BioLiP:

Chemical formula:

C6 H7 N O

InChI:

InChI=1S/C6H7NO/c1-5-3-2-4-6(8)7-5/h2-3H,4H2,1H3

InChIKey:

YQDSOMNGEOIBBG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC1=NC(=O)CC=C1

Name:

6-methyl-3H-pyridin-2-one;
2(3H)-Pyridinone, 6-methyl-;
6-Methylpyridin-2(3H)-one

ZINC:

ZINC000072230759

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).