BioLiP

PDB

BioLiP

PDB CCD ID:

EM6

Number of entries in BioLiP:

Chemical formula:

C10 H10 N4 O

InChI:

InChI=1S/C10H10N4O/c1-3-8-6(2)13-9-7(4-11)5-12-14(9)10(8)15/h5,12H,3H2,1-2H3

InChIKey:

PJIRQIUNBLUWJK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCC1=C(N=C2C(=CNN2C1=O)C#N)C
CACTVS 3.385	CCC1=C(C)N=C2N(NC=C2C#N)C1=O

Name:

6-ethyl-5-methyl-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-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).