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TitleDiscovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 5102-5118, Year 2020
Publish dateNov 14, 2019 (structure data deposition date)
AuthorsAngst, D. / Gessier, F. / Janser, P. / Vulpetti, A. / Walchli, R. / Beerli, C. / Littlewood-Evans, A. / Dawson, J. / Nuesslein-Hildesheim, B. / Wieczorek, G. ...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.
External linksJ. Med. Chem. / PubMed:32083858
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-6tfp:
BTK in complex with LOU064, a potent and highly selective covalent inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-NA:
Unknown entry

ChemComp-N6Z:
~{N}-[3-[6-azanyl-5-[2-[methyl(propanoyl)amino]ethoxy]pyrimidin-4-yl]-5-fluoranyl-2-methyl-phenyl]-4-cyclopropyl-2-fluoranyl-benzamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / BTK / complex / inhibitor

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