5BQ0

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 5BQ0

• Entry DOI: 10.2210/pdb5bq0/pdb
• Related: 5BPY
• Descriptor: Tyrosine-protein kinase BTK, 4-(2-chlorophenyl)-7-[(4-methylpiperazin-1-yl)carbonyl]-9H-carbazole-1-carboxamide, DIMETHYL SULFOXIDE, ... (5 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: 1
• Total formula weight: 33329.67

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 (1.57 Å)