1YKR

Crystal structure of cdk2 with an aminoimidazo pyridine inhibitor

Summary for 1YKR

• Entry DOI: 10.2210/pdb1ykr/pdb
• Descriptor: Cell division protein kinase 2, 4-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1,2-A]PYRIDIN-2-YL]AMINO}BENZENESULFONAMIDE (3 entities in total)
• Functional Keywords: cell cycle division protein kinase 2, cdk2, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 34437.81

Authors

Hamdouchi, C.,Zhong, B.,Mendoza, J.,Jaramillo, C.,Zhang, F.,Brooks, H.B. (deposition date: 2005-01-18, release date: 2006-01-24, Last modification date: 2023-08-23)

Primary citation

Hamdouchi, C.,Zhong, B.,Mendoza, J.,Collins, E.,Jaramillo, C.,De Diego, J.E.,Robertson, D.,Spencer, C.D.,Anderson, B.D.,Watkins, S.A.,Zhang, F.,Brooks, H.B.
Structure-based design of a new class of highly selective aminoimidazo[1,2-a]pyridine-based inhibitors of cyclin dependent kinases
Bioorg.Med.Chem.Lett., 15:1943-1947, 2005

PubMed Abstract: Structure-based design approach was successfully used to guide the evolution of imidazopyridine scaffold yielding new structural class of highly selective inhibitors of cyclin dependent kinases that were able to form a new interaction with an identified residue of the protein, Lys89. Compounds from this series have shown no detectable effect when tested against a representative set of other serine/threonine kinases such as GSK3beta, CAMKII, PKA, PKC-alpha,beta,epsilon,gamma. Compound 2i inhibits proliferation in HCT 116 cells in tissue culture. Synthesis, co-crystal structure of CDK2 in complex with compound 2i, and preliminary SAR study are disclosed.

PubMed: 15780638
DOI: 10.1016/j.bmcl.2005.01.052

Experimental method

X-RAY DIFFRACTION (1.8 Å)