EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors.
ジャーナル・号・ページ	Bioorg. Med. Chem., Vol. 63, Page 116729-116729, Year 2022
掲載日	2021年12月7日 (構造データの登録日)
著者	Cumming, I.A. / Degorce, S.L. / Aagaard, A. / Braybrooke, E.L. / Davies, N.L. / Diene, C.R. / Eatherton, A.J. / Felstead, H.R. / Groombridge, S.D. / Lenz, E.M. ...Cumming, I.A. / Degorce, S.L. / Aagaard, A. / Braybrooke, E.L. / Davies, N.L. / Diene, C.R. / Eatherton, A.J. / Felstead, H.R. / Groombridge, S.D. / Lenz, E.M. / Li, Y. / Nai, Y. / Pearson, S. / Robb, G.R. / Scott, J.S. / Steward, O.R. / Wu, C. / Xue, Y. / Zhang, L. / Zhang, Y.
リンク	Bioorg. Med. Chem. / PubMed:35439688
手法	X線回折
解像度	2.07 - 3.031 Å
構造データ	PDB-7qg1: IRAK4 in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.07 Å PDB-7qg2: IRAK4 in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 3.031 Å PDB-7qg3: IRAK4 in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.11 Å PDB-7qg5: IRAK4 in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å
化合物	ChemComp-B8I: methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]-5-oxidanylidene-pyrido[4,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate ChemComp-HOH: WATER ChemComp-B6I: 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one ChemComp-B4U: 6-[(2~{S})-2-fluoranylpropyl]-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one ChemComp-B7R: 4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-pyrido[4,3-d]pyrimidin-5-one
由来	homo sapiens (ヒト)
キーワード	TRANSFERASE / Kinase inhibitor Interleukin-1 Receptor-Associated Kinase 4 Interleukin-1 signaling