BioLiP

PDB

BioLiP

PDB CCD ID:

QOS

Number of entries in BioLiP:

Chemical formula:

C6 H8 N2 O

InChI:

InChI=1S/C6H8N2O/c1-4-3-7-6(9)5(2)8-4/h3H,1-2H3,(H,7,9)

InChIKey:

AJYKJVCIKQEVCF-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C1=C(N=C(C)C(N1)=O)C
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC1=CNC(=O)C(=N1)C

Name:

3,5-dimethylpyrazin-2(1H)-one

ZINC:

ZINC000014448309

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).