2PVL

Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2

Summary for 2PVL

• Entry DOI: 10.2210/pdb2pvl/pdb
• Related: 2PVH 2PVJ 2PVK 2PVM 2PVN
• Descriptor: Casein kinase II subunit alpha, 2-(4-ETHYLPIPERAZIN-1-YL)-4-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-8-CARBONITRILE (3 entities in total)
• Functional Keywords: structure-based drug design, enzyme-inhibitor complex, casein kinase ii, protein kinase ck2, transferase
• Biological source: Zea mays
• Total number of polymer chains: 1
• Total formula weight: 41798.87

Authors

Nie, Z.,Perretta, C.,Erickson, P.,Margosiak, S.,Almassy, R.,Lu, J.,Averill, A.,Yager, K.M.,Chu, S. (deposition date: 2007-05-09, release date: 2008-05-13, Last modification date: 2021-10-20)

Primary citation

Nie, Z.,Perretta, C.,Erickson, P.,Margosiak, S.,Almassy, R.,Lu, J.,Averill, A.,Yager, K.M.,Chu, S.
Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2.
Bioorg.Med.Chem.Lett., 17:4191-4195, 2007

PubMed Abstract: The structure-based design, synthesis, and anticancer activity of novel inhibitors of protein kinase CK2 are described. Using pyrazolo[1,5-a][1,3,5]triazine as the core scaffold, a structure-guided series of modifications provided pM inhibitors with microM-level cytotoxic activity in cell-based assays with prostate and colon cancer cell lines.

PubMed: 17540560
DOI: 10.1016/j.bmcl.2007.05.041

Experimental method

X-RAY DIFFRACTION (1.9 Å)