タイトル Discovery of a Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (cIAP1) and X-Linked Inhibitor of Apoptosis Protein (XIAP). ジャーナル・号・ページ J. Med. Chem. , Vol. 60, Page 4611-4625, Year 2017掲載日 2016年10月25日 (構造データの登録日) 著者Tamanini, E. / Buck, I.M. / Chessari, G. / Chiarparin, E. / Day, J.E.H. / Frederickson, M. / Griffiths-Jones, C.M. / Hearn, K. / Heightman, T.D. / Iqbal, A. ...Tamanini, E. / Buck, I.M. / Chessari, G. / Chiarparin, E. / Day, J.E.H. / Frederickson, M. / Griffiths-Jones, C.M. / Hearn, K. / Heightman, T.D. / Iqbal, A. / Johnson, C.N. / Lewis, E.J. / Martins, V. / Peakman, T. / Reader, M. / Rich, S.J. / Ward, G.A. / Williams, P.A. / Wilsher, N.E. リンク J. Med. Chem. / PubMed:28492317手法 X線回折 解像度 1.8 - 2.61 Å 構造データ PDB-5m6e : 構造ビューア Small Molecule inhibitors of IAP手法 : X-RAY DIFFRACTION / 解像度 : 2.32 Å
PDB-5m6f : 構造ビューア Small Molecule inhibitors of IAP手法 : X-RAY DIFFRACTION / 解像度 : 2.39 Å
PDB-5m6h : 構造ビューア Small Molecule inhibitors of IAP手法 : X-RAY DIFFRACTION / 解像度 : 2.5 Å
PDB-5m6l : 構造ビューア Small Molecule inhibitors of IAP手法 : X-RAY DIFFRACTION / 解像度 : 2.61 Å
PDB-5m6m : 構造ビューア Small Molecule inhibitors of IAP手法 : X-RAY DIFFRACTION / 解像度 : 2.37 Å
PDB-5m6n : 構造ビューア Small Molecule inhibitors of IAP手法 : X-RAY DIFFRACTION / 解像度 : 1.8 Å
化合物 ChemComp-7HT : 構造ビューア 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[(4-methylpyrazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone
ChemComp-7HU : 構造ビューア 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-2-(methoxymethyl)-5-methyl-piperazin-4-ium-1-yl]ethanone
ChemComp-7J6 : 構造ビューア 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-morpholin-4-ylcarbonyl-piperazin-4-ium-1-yl]ethanone
ChemComp-7H9 : 構造ビューア 1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone
ChemComp-7H8 : 構造ビューア 1-[[(2~{R},5~{R})-1-[2-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-4-ium-2-yl]methyl]pyrrolidin-2-one
由来 homo sapiens (ヒト) キーワード APOPTOSIS / XIAP / metal-binding / inhibitor / Xiap#1 / LIGASE