6THW

IRAK4 in complex with inhibitor

Summary for 6THW

• Entry DOI: 10.2210/pdb6thw/pdb
• Descriptor: Interleukin-1 receptor-associated kinase 4, 7-fluoranyl-4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine (3 entities in total)
• Functional Keywords: irak4, kinase, inhibitor, cancer, signaling protein
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 69929.20

Authors

Xue, Y.,Aagaard, A.,Degorce, S.L. (deposition date: 2019-11-21, release date: 2020-10-28, Last modification date: 2020-11-04)

• Primary citation: Degorce, S.L.,Aagaard, A.,Anjum, R.,Cumming, I.A.,Diene, C.R.,Fallan, C.,Johnson, T.,Leuchowius, K.J.,Orton, A.L.,Pearson, S.,Robb, G.R.,Rosen, A.,Scarfe, G.B.,Scott, J.S.,Smith, J.M.,Steward, O.R.,Terstiege, I.,Tucker, M.J.,Turner, P.,Wilkinson, S.D.,Wrigley, G.L.,Xue, Y.; Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors.; Bioorg.Med.Chem., 28:115815-115815, 2020; PubMed: 33091850; DOI: 10.1016/j.bmc.2020.115815

Experimental method

X-RAY DIFFRACTION (2.44 Å)