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TitleDesign, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 5113-5133, Year 2022
Publish dateDec 20, 2021 (structure data deposition date)
AuthorsShao, M. / Chen, X. / Yang, F. / Song, X. / Zhou, Y. / Lin, Q. / Fu, Y. / Ortega, R. / Lin, X. / Tu, Z. ...Shao, M. / Chen, X. / Yang, F. / Song, X. / Zhou, Y. / Lin, Q. / Fu, Y. / Ortega, R. / Lin, X. / Tu, Z. / Patterson, A.V. / Smaill, J.B. / Chen, Y. / Lu, X.
External linksJ. Med. Chem. / PubMed:35271262
MethodsX-ray diffraction
Resolution2.106 - 2.317 Å
Structure data

PDB-7wct:
Crystal structure of FGFR4 kinase domain with 7v
Method: X-RAY DIFFRACTION / Resolution: 2.106 Å

PDB-7wcw:
Crystal structure of FGFR4(V550L) kinase domain with 7v
Method: X-RAY DIFFRACTION / Resolution: 2.317 Å

PDB-7wcx:
Crystal structure of FGFR4(V550M) kinase domain with 7v
Method: X-RAY DIFFRACTION / Resolution: 2.175 Å

Chemicals

ChemComp-90F:
~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Kinase / Inhibitor / STRUCTURAL PROTEIN / TRANSFERASE-TRANSFERASE INHIBITOR complex

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