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TitleDiscovery of Roblitinib (FGF401) as a Reversible-Covalent Inhibitor of the Kinase Activity of Fibroblast Growth Factor Receptor 4.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 12542-12573, Year 2020
Publish dateApr 1, 2020 (structure data deposition date)
AuthorsFairhurst, R.A. / Knoepfel, T. / Buschmann, N. / Leblanc, C. / Mah, R. / Todorov, M. / Nimsgern, P. / Ripoche, S. / Niklaus, M. / Warin, N. ...Fairhurst, R.A. / Knoepfel, T. / Buschmann, N. / Leblanc, C. / Mah, R. / Todorov, M. / Nimsgern, P. / Ripoche, S. / Niklaus, M. / Warin, N. / Luu, V.H. / Madoerin, M. / Wirth, J. / Graus-Porta, D. / Weiss, A. / Kiffe, M. / Wartmann, M. / Kinyamu-Akunda, J. / Sterker, D. / Stamm, C. / Adler, F. / Buhles, A. / Schadt, H. / Couttet, P. / Blank, J. / Galuba, I. / Trappe, J. / Voshol, J. / Ostermann, N. / Zou, C. / Berghausen, J. / Del Rio Espinola, A. / Jahnke, W. / Furet, P.
External linksJ. Med. Chem. / PubMed:32930584
MethodsX-ray diffraction
Resolution2.13 Å
Structure data

PDB-6yi8:
HUMAN FGFR4 KINASE DOMAIN (447-753) IN COMPLEX WITH ROBLITINIB
Method: X-RAY DIFFRACTION / Resolution: 2.13 Å

Chemicals

ChemComp-FGF:
N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / TYROSINE KINASE INHIBITOR / COVALENT REVERSIBLE INHIBITOR / FGFR4 / ROBLITINIB

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