BioLiP

PDB

BioLiP

PDB CCD ID:

ZGX

Number of entries in BioLiP:

Chemical formula:

C6 H10 N2 O

InChI:

InChI=1S/C6H10N2O/c1-6(9)8-4-2-7-3-5-8/h2,4,7H,3,5H2,1H3

InChIKey:

GYAZTMNAHJBEMX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(=O)N1CCNC=C1
ACDLabs 12.01	CC(=O)N1C=CNCC1

Name:

1-(3,4-dihydropyrazin-1(2H)-yl)ethan-1-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).