8E2M

Bruton's tyrosine kinase (BTK) with compound 13

Summary for 8E2M

• Entry DOI: 10.2210/pdb8e2m/pdb
• Descriptor: Tyrosine-protein kinase BTK, (5P)-5-[4-methyl-6-(2-methylpropyl)pyridin-3-yl]-4-oxo-N-[(1R,2S)-2-propanamidocyclopentyl]-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide, TRIETHYLENE GLYCOL, ... (4 entities in total)
• Functional Keywords: protein kinase, inhibitor, covalent, transferase-transferase inhibitor complex, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 32269.11

Authors

Alexander, R.,Milligan, C.M. (deposition date: 2022-08-15, release date: 2022-11-16, Last modification date: 2024-04-03)

• Primary citation: Tichenor, M.S.,Wiener, J.J.M.,Rao, N.L.,Bacani, G.M.,Wei, J.,Pooley Deckhut, C.,Barbay, J.K.,Kreutter, K.D.,Chang, L.,Clancy, K.W.,Murrey, H.E.,Wang, W.,Ahn, K.,Huber, M.,Rex, E.,Coe, K.J.,Wu, J.,Rui, H.,Sepassi, K.,Gaudiano, M.,Bekkers, M.,Cornelissen, I.,Packman, K.,Seierstad, M.,Xiouras, C.,Bembenek, S.D.,Alexander, R.,Milligan, C.,Balasubramanian, S.,Lebsack, A.D.,Venable, J.D.,Philippar, U.,Edwards, J.P.,Hirst, G.; Discovery of JNJ-64264681: A Potent and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.; J.Med.Chem., 65:14326-14336, 2022; PubMed: 36314537; DOI: 10.1021/acs.jmedchem.2c01026

Experimental method

X-RAY DIFFRACTION (1.904 Å)