6TFP

BTK in complex with LOU064, a potent and highly selective covalent inhibitor

Summary for 6TFP

Entry DOI	10.2210/pdb6tfp/pdb
Descriptor	Tyrosine-protein kinase BTK, SODIUM ION, ~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide, ... (4 entities in total)
Functional Keywords	btk, complex, inhibitor, transferase
Biological source	Homo sapiens (Human)
Total number of polymer chains	5
Total formula weight	162652.30
Authors	Scheufler, C.,Hinniger, A.,Gutmann, S. (deposition date: 2019-11-14, release date: 2020-03-04, Last modification date: 2024-05-01)
Primary citation	Angst, D.,Gessier, F.,Janser, P.,Vulpetti, A.,Walchli, R.,Beerli, C.,Littlewood-Evans, A.,Dawson, J.,Nuesslein-Hildesheim, B.,Wieczorek, G.,Gutmann, S.,Scheufler, C.,Hinniger, A.,Zimmerlin, A.,Funhoff, E.G.,Pulz, R.,Cenni, B. Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J.Med.Chem., 63:5102-5118, 2020 Cited by PubMed: 32083858 DOI: 10.1021/acs.jmedchem.9b01916 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation