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TitleDiscovery of a Series of 5-Azaquinazolines as Orally Efficacious IRAK4 Inhibitors Targeting MyD88L265PMutant Diffuse Large B Cell Lymphoma.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 9918-9930, Year 2019
Publish dateApr 15, 2019 (structure data deposition date)
AuthorsDegorce, S.L. / Anjum, R. / Bloecher, A. / Carbajo, R.J. / Dillman, K.S. / Drew, L. / Halsall, C.T. / Lenz, E.M. / Lindsay, N.A. / Mayo, M.F. ...Degorce, S.L. / Anjum, R. / Bloecher, A. / Carbajo, R.J. / Dillman, K.S. / Drew, L. / Halsall, C.T. / Lenz, E.M. / Lindsay, N.A. / Mayo, M.F. / Pink, J.H. / Robb, G.R. / Rosen, A. / Scott, J.S. / Xue, Y.
External linksJ. Med. Chem. / PubMed:31622099
MethodsX-ray diffraction
Resolution2.31 - 2.61 Å
Structure data

PDB-6rfi:
IRAK4 IN COMPLEX WITH inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.31 Å

PDB-6rfj:
IRAK4 IN COMPLEX WITH inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.61 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-K1H:
methyl 4-[4-[(6-cyanoquinazolin-4-yl)amino]cyclohexyl]piperazine-1-carboxylate

ChemComp-HOH:
WATER

ChemComp-K1E:
methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN / IRAK4 / kinase / inhibitor / cancer

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