6OQI

CDK2 in complex with Cpd14 (5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine)

Summary for 6OQI

• Entry DOI: 10.2210/pdb6oqi/pdb
• Descriptor: Cyclin-dependent kinase 2, 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine (3 entities in total)
• Functional Keywords: kinase, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 34560.19

Authors

Murray, J.M. (deposition date: 2019-04-26, release date: 2020-07-29, Last modification date: 2023-10-11)

• Primary citation: Bronner, S.M.,Merrick, K.A.,Murray, J.,Salphati, L.,Moffat, J.G.,Pang, J.,Sneeringer, C.J.,Dompe, N.,Cyr, P.,Purkey, H.,Boenig, G.L.,Li, J.,Kolesnikov, A.,Larouche-Gauthier, R.,Lai, K.W.,Shen, X.,Aubert-Nicol, S.,Chen, Y.C.,Cheong, J.,Crawford, J.J.,Hafner, M.,Haghshenas, P.,Jakalian, A.,Leclerc, J.P.,Lim, N.K.,O'Brien, T.,Plise, E.G.,Shalan, H.,Sturino, C.,Wai, J.,Xiao, Y.,Yin, J.,Zhao, L.,Gould, S.,Olivero, A.,Heffron, T.P.; Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.; Bioorg.Med.Chem.Lett., 29:2294-2301, 2019; PubMed: 31307887; DOI: 10.1016/j.bmcl.2019.06.021

Experimental method

X-RAY DIFFRACTION (2 Å)