BioLiP

PDB

BioLiP

PDB CCD ID:

Q0W

Number of entries in BioLiP:

Chemical formula:

C10 H10 N6

InChI:

InChI=1S/C10H10N6/c1-2-16-5-7(4-15-16)9-8(3-11)10(12)14-6-13-9/h4-6H,2H2,1H3,(H2,12,13,14)

InChIKey:

UXGKYAIKFHQQGH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCn1cc(cn1)c2ncnc(N)c2C#N
OpenEye OEToolkits 2.0.7	CCn1cc(cn1)c2c(c(ncn2)N)C#N

Name:

4-azanyl-6-(1-ethylpyrazol-4-yl)pyrimidine-5-carbonitrile

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).