BioLiP

PDB

BioLiP

PDB CCD ID:

92Z

Number of entries in BioLiP:

Chemical formula:

C5 H6 N2 O

InChI:

InChI=1S/C5H6N2O/c6-4-2-1-3-7-5(4)8/h2-3H,1,6H2

InChIKey:

VIWRMYOJPYBLTE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C1C=C(C(=O)N=C1)N
CACTVS 3.385	NC1=CCC=NC1=O

Name:

5-azanyl-3~{H}-pyridin-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).