8UCC

IRAK4 in complex with compound 20

Summary for 8UCC

• Entry DOI: 10.2210/pdb8ucc/pdb
• Related: 8UCB
• Descriptor: Interleukin-1 receptor-associated kinase 4, (4S)-2-[(1R,4s)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[(8S)-6-methylpyrazolo[1,5-a]pyrimidin-3-yl]-7-[(propan-2-yl)oxy]imidazo[1,2-a]pyrimidine-6-carboxamide, ... (4 entities in total)
• Functional Keywords: kinase, transferase, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 2
• Total formula weight: 69970.92

Authors

Metrick, C.M.,Chodaparambil, J.V. (deposition date: 2023-09-26, release date: 2024-06-26)

• Primary citation: 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.; The 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.; J.Med.Chem., 67:4676-4690, 2024; PubMed: 38467640; DOI: 10.1021/acs.jmedchem.3c02226

Experimental method

X-RAY DIFFRACTION (1.8 Å)