BioLiP

PDB

BioLiP

PDB CCD ID:

YM0

Number of entries in BioLiP:

Chemical formula:

C6 H3 N5

InChI:

InChI=1S/C6H3N5/c7-1-4-3-10-6(9)5(2-8)11-4/h3H,(H2,9,10)

InChIKey:

SVUGJCIZAIHMMN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(nc(c(n1)N)C#N)C#N
CACTVS 3.385	Nc1ncc(nc1C#N)C#N

Name:

3-azanylpyrazine-2,6-dicarbonitrile

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).