3EID

CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor

Summary for 3EID

• Entry DOI: 10.2210/pdb3eid/pdb
• Descriptor: Cell division protein kinase 2, Cyclin-A2, (2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol, ... (4 entities in total)
• Functional Keywords: cdk2, cyclin, atp-binding, cell cycle, cell division, kinase, mitosis, nucleotide-binding, phosphoprotein, serine/threonine-protein kinase, transferase, nucleus, transferase-cell cycle complex, transferase/cell cycle
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 4
• Total formula weight: 128178.56

Authors

Steven, K.,Reno, M.,Alberti, J.,Price, D.,Kane-Carson, L.,Knick, V.,Shewchuk, L.,Hassell, A.,Veal, J.,Peel, M. (deposition date: 2008-09-15, release date: 2008-10-21, Last modification date: 2023-08-30)

Primary citation

Stevens, K.L.,Reno, M.J.,Alberti, J.B.,Price, D.J.,Kane-Carson, L.S.,Knick, V.B.,Shewchuk, L.M.,Hassell, A.M.,Veal, J.M.,Davis, S.T.,Griffin, R.J.,Peel, M.R.
Synthesis and evaluation of pyrazolo[1,5-b]pyridazines as selective cyclin dependent kinase inhibitors.
Bioorg.Med.Chem.Lett., 18:5758-5762, 2008

PubMed Abstract: A novel series of pyrazolo[1,5-b]pyridazines have been synthesized and identified as cyclin dependant kinase inhibitors potentially useful for the treatment of solid tumors. Modification of the hinge-binding amine or the C(2)- and C(6)-substitutions on the pyrazolopyridazine core provided potent inhibitors of CDK4 and demonstrated enzyme selectivity against VEGFR-2 and GSK3beta.

PubMed: 18835709
DOI: 10.1016/j.bmcl.2008.09.069

Experimental method

X-RAY DIFFRACTION (3.15 Å)