5DWR

Identification of N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1,2 and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies

Summary for 5DWR

• Entry DOI: 10.2210/pdb5dwr/pdb
• Related: 4N70
• Descriptor: Serine/threonine-protein kinase pim-1, N-{4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide (3 entities in total)
• Functional Keywords: pim1, moloney murine leukemia, pim447, kinase inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Isoform 2: Cytoplasm. Isoform 1: Cell membrane: P11309
• Total number of polymer chains: 1
• Total formula weight: 38037.16

Authors

Bellamacina, C.,Bussiere, D.,Burger, M. (deposition date: 2015-09-22, release date: 2015-11-11, Last modification date: 2015-11-25)

• Primary citation: Burger, M.T.,Nishiguchi, G.,Han, W.,Lan, J.,Simmons, R.,Atallah, G.,Ding, Y.,Tamez, V.,Zhang, Y.,Mathur, M.,Muller, K.,Bellamacina, C.,Lindvall, M.K.,Zang, R.,Huh, K.,Feucht, P.,Zavorotinskaya, T.,Dai, Y.,Basham, S.,Chan, J.,Ginn, E.,Aycinena, A.,Holash, J.,Castillo, J.,Langowski, J.L.,Wang, Y.,Chen, M.Y.,Lambert, A.,Fritsch, C.,Kauffmann, A.,Pfister, E.,Vanasse, K.G.,Garcia, P.D.; Identification of N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1, 2, and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies.; J.Med.Chem., 58:8373-8386, 2015; PubMed: 26505898; DOI: 10.1021/acs.jmedchem.5b01275

Experimental method

X-RAY DIFFRACTION (2 Å)