BioLiP

PDB

BioLiP

PDB CCD ID:

A1I24

Number of entries in BioLiP:

Chemical formula:

C6 H10 N2 O

InChI:

InChI=1S/C6H10N2O/c1-8-4-5(7)2-3-6(8)9/h2H,3-4,7H2,1H3

InChIKey:

IRDKKBSYQJABMY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CN1CC(=CCC1=O)N

Name:

3-azanyl-1-methyl-2,5-dihydropyridin-6-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).