BioLiP

PDB

BioLiP

PDB CCD ID:

P55

Number of entries in BioLiP:

Chemical formula:

C18 H20 N8

InChI:

InChI=1S/C18H20N8/c1-2-24-8-10-25(11-9-24)17-22-16-14(12-19)13-20-26(16)18(23-17)21-15-6-4-3-5-7-15/h3-7,13H,2,8-11H2,1H3,(H,21,22,23)

InChIKey:

BIFHJPUTQBOBGJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CCN1CCN(CC1)c2nc(Nc3ccccc3)n4ncc(C#N)c4n2
ACDLabs 10.04	N#Cc1cnn2c(nc(nc12)N3CCN(CC)CC3)Nc4ccccc4
OpenEye OEToolkits 1.5.0	CCN1CCN(CC1)c2nc3c(cnn3c(n2)Nc4ccccc4)C#N

Name:

2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE

ChEMBL:

CHEMBL230137

DrugBank:

DB08360

ZINC:

ZINC000016052399

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).