5BPY

Crystal structure of bruton agammaglobulinemia tyrosine kinase complexed with BMS-824171 AKA 6-[(3R)-3-(4-tert-bu tylbenzamido)piperidin-1-yl]-2-{[4-(morpholine-4-carbonyl) phenyl]amino}pyridine-3-carboxamide

Summary for 5BPY

• Entry DOI: 10.2210/pdb5bpy/pdb
• Related: 5BQ0
• Descriptor: Tyrosine-protein kinase BTK, 6-{(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl}-2-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}pyridine-3-carboxamide (3 entities in total)
• Functional Keywords: kinase, inhibitor, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm: Q06187
• Total number of polymer chains: 2
• Total formula weight: 63577.24

Authors

Muckelbauer, J.K. (deposition date: 2015-05-28, release date: 2015-09-23, Last modification date: 2024-03-06)

• Primary citation: Liu, Q.,Batt, D.G.,Lippy, J.S.,Surti, N.,Tebben, A.J.,Muckelbauer, J.K.,Chen, L.,An, Y.,Chang, C.,Pokross, M.,Yang, Z.,Wang, H.,Burke, J.R.,Carter, P.H.,Tino, J.A.; Design and synthesis of carbazole carboxamides as promising inhibitors of Bruton's tyrosine kinase (BTK) and Janus kinase 2 (JAK2).; Bioorg.Med.Chem.Lett., 25:4265-4269, 2015; PubMed: 26320619; DOI: 10.1016/j.bmcl.2015.07.102

Experimental method

X-RAY DIFFRACTION (2.31 Å)