タイトル | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 . |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 67, Page 1225-1242, Year 2024 |
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掲載日 | 2022年8月22日 (構造データの登録日) |
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著者 | Bothe, U. / Gunther, J. / Nubbemeyer, R. / Siebeneicher, H. / Ring, S. / Bomer, U. / Peters, M. / Rausch, A. / Denner, K. / Himmel, H. ...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. |
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リンク | J. Med. Chem. / PubMed:38228402 |
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手法 | X線回折 |
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解像度 | 2.119 - 2.7 Å |
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構造データ | PDB-8atb: Discovery of IRAK4 Inhibitor 16 手法: X-RAY DIFFRACTION / 解像度: 2.35 Å PDB-8atl: Discovery of IRAK4 Inhibitor 23 手法: X-RAY DIFFRACTION / 解像度: 2.464 Å PDB-8atn: Discovery of IRAK4 Inhibitor 38 手法: X-RAY DIFFRACTION / 解像度: 2.171 Å PDB-8br5: Discovery of IRAK4 Inhibitor 41 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-8br6: Discovery of IRAK4 Inhibitor 40 手法: X-RAY DIFFRACTION / 解像度: 2.167 Å PDB-8br7: Discovery of IRAK4 Inhibitors BAY1834845 and BAY1830839 手法: X-RAY DIFFRACTION / 解像度: 2.119 Å |
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化合物 | ChemComp-O0H: ~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
ChemComp-O6X: ~{N}-[6-methoxy-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indazol-5-yl]-6-[(1~{R})-2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]pyridine-2-carboxamide
ChemComp-O06: ~{N}-[3-methyl-2-(3-methyl-3-oxidanyl-butyl)-6-(2-oxidanylpropan-2-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
ChemComp-R73: ~{N}-[2,3-dimethyl-6-(1~{H}-pyrazol-5-yl)benzimidazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
ChemComp-R6I: ~{N}-[6-methoxy-2-(2-methylsulfonylethyl)-1,3-dihydroindazol-5-yl]-6-(2-oxidanylpropan-2-yl)pyridine-2-carboxamide
ChemComp-R6R: 3-nitro-~{N}-[2-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]indazol-5-yl]benzamide
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由来 | - homo sapiens (ヒト)
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キーワード | TRANSFERASE / IRAK4 / KINASE |
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