BioLiP

PDB

BioLiP

PDB CCD ID:

Q4H

Number of entries in BioLiP:

Chemical formula:

C5 H4 N4

InChI:

InChI=1S/C5H4N4/c6-1-4-2-8-3-9-5(4)7/h2-3H,(H2,7,8,9)

InChIKey:

JAIYUIOGVNRXEW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(c(ncn1)N)C#N
CACTVS 3.385	Nc1ncncc1C#N

Name:

4-azanylpyrimidine-5-carbonitrile

ZINC:

ZINC000000165356

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).