8ATN

Discovery of IRAK4 Inhibitor 38

This is a non-PDB format compatible entry.

Summary for 8ATN

• Entry DOI: 10.2210/pdb8atn/pdb
• Descriptor: Interleukin-1 receptor-associated kinase 4, ~{N}-[3-methyl-2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (3 entities in total)
• Functional Keywords: irak4, kinase, transferase
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 67502.13

Authors

Schafer, M.,Bothe, U.,Schmidt, N.,Gunther, J.,Nubbemeyer, R.,Siebeneicher, H.,Ring, S.,Boemer, U.,Peters, M.,Denner, K.,Himmel, H.,Sutter, A.,Terebesi, I.,Lange, M.,Wenger, A.M.,Guimond, N.,Thaler, T.,Platzek, J.,Eberspaecher, U.,Steuber, H.,Steinmeyer, A.,Zollner, T.M. (deposition date: 2022-08-23, release date: 2023-09-06, Last modification date: 2024-02-07)

• Primary citation: Bothe, U.,Gunther, J.,Nubbemeyer, R.,Siebeneicher, H.,Ring, S.,Bomer, U.,Peters, M.,Rausch, A.,Denner, K.,Himmel, H.,Sutter, A.,Terebesi, I.,Lange, M.,Wengner, A.M.,Guimond, N.,Thaler, T.,Platzek, J.,Eberspacher, U.,Schafer, M.,Steuber, H.,Zollner, T.M.,Steinmeyer, A.,Schmidt, N.; Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .; J.Med.Chem., 67:1225-1242, 2024; PubMed: 38228402; DOI: 10.1021/acs.jmedchem.3c01714

Experimental method

X-RAY DIFFRACTION (2.171 Å)