BioLiP

PDB

BioLiP

PDB CCD ID:

V2Z

Number of entries in BioLiP:

Chemical formula:

C12 H13 N3 O

InChI:

InChI=1S/C12H13N3O/c1-2-4-10-12(16)14-8-11(15-10)9-5-3-6-13-7-9/h3,5-8H,2,4H2,1H3,(H,14,16)

InChIKey:

ZKLHKFWUNCAKLE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 1.7.6	CCCC1=NC(=CNC1=O)c2cccnc2

Name:

3-PROPYL-5-(3-PYRIDYL)-1H-PYRAZIN-2-ONE

ZINC:

ZINC000034363654

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).