8TVN

IRAK4 in complex with compound 23

Summary for 8TVN

• Entry DOI: 10.2210/pdb8tvn/pdb
• Related: 8tvm
• Descriptor: Interleukin-1 receptor-associated kinase 4, N-{1-[(1R,2S)-2-fluorocyclopropyl]-2-oxo-1,2-dihydropyridin-3-yl}-2-[(1R,4r)-1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl]-6-[(propan-2-yl)oxy]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (3 entities in total)
• Functional Keywords: kinase, transferase, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 4
• Total formula weight: 140501.72

Authors

Metrick, C.M.,Chodaparambil, J.V. (deposition date: 2023-08-18, release date: 2024-06-26)

• Primary citation: Bolduc, P.N.,Pfaffenbach, M.,Evans, R.,Xin, Z.,Henry, K.L.,Gao, F.,Fang, T.,Silbereis, J.,Vera Rebollar, J.,Li, P.,Chodaparambil, J.V.,Metrick, C.,Peterson, E.A.; A Tiny Pocket Packs a Punch: Leveraging Pyridones for the Discovery of CNS-Penetrant Aza-indazole IRAK4 Inhibitors.; Acs Med.Chem.Lett., 15:714-721, 2024; PubMed: 38746903; DOI: 10.1021/acsmedchemlett.4c00102

Experimental method

X-RAY DIFFRACTION (1.95 Å)