BioLiP

PDB

BioLiP

PDB CCD ID:

A1ED2

Number of entries in BioLiP:

Chemical formula:

C6 H7 N O

InChI:

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

InChIKey:

DVVGIUUJYPYENY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CN1C=CC=CC1=O

Name:

1-methylpyridin-2-one;
694-85-9

ChEMBL:

CHEMBL12607

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).