BioLiP

PDB

BioLiP

PDB CCD ID:

G6C

Number of entries in BioLiP:

Chemical formula:

C5 H5 N O2

InChI:

InChI=1S/C5H5NO2/c7-4-1-2-5(8)6-3-4/h1-3,7H,(H,6,8)

InChIKey:

CHGPEDOMXOLANF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1=CC(=O)NC=C1O
CACTVS 3.385	OC1=CNC(=O)C=C1

Name:

5-oxidanyl-1H-pyridin-2-one

ZINC:

ZINC000013527001

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).