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TitleThe Discovery of 7-Isopropoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)- N -(6-methylpyrazolo[1,5- a ]pyrimidin-3-yl)imidazo[1,2- a ]pyrimidine-6-carboxamide (BIO-7488), a Potent, Selective, and CNS-Penetrant IRAK4 Inhibitor for the Treatment of Ischemic Stroke.
Journal, issue, pagesJ. Med. Chem., Vol. 67, Page 4676-4690, Year 2024
Publish dateSep 26, 2023 (structure data deposition date)
AuthorsEvans, R. / Bolduc, P.N. / Pfaffenbach, M. / Gao, F. / May-Dracka, T. / Fang, T. / Hopkins, B.T. / Chodaparambil, J.V. / Henry, K.L. / Li, P. ...Evans, R. / Bolduc, P.N. / Pfaffenbach, M. / Gao, F. / May-Dracka, T. / Fang, T. / Hopkins, B.T. / Chodaparambil, J.V. / Henry, K.L. / Li, P. / Metrick, C. / Nelson, A. / Trapa, P. / Thomas, A. / Burkly, L. / Peterson, E.A.
External linksJ. Med. Chem. / PubMed:38467640
MethodsX-ray diffraction
Resolution1.8 - 1.85 Å
Structure data

PDB-8ucb:
IRAK4 in complex with compound 8
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-8ucc:
IRAK4 in complex with compound 20
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals


ChemComp, No image

ChemComp-X1T:
Unknown entry

ChemComp-HOH:
WATER


ChemComp, No image

ChemComp-WFQ:
Unknown entry

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/INHIBITOR / kinase / TRANSFERASE / TRANSFERASE-INHIBITOR complex

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