6H6Q
Fragment Derived XIAP inhibitor
6H6Q の概要
エントリーDOI | 10.2210/pdb6h6q/pdb |
分子名称 | E3 ubiquitin-protein ligase XIAP, ZINC ION, 2-[(2~{R},5~{R})-2-[[(3~{R},5~{R})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{S})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]ethanone, ... (4 entities in total) |
機能のキーワード | inhibitor of apoptosis, caspase inhibitor zinc binding domain, apoptosis |
由来する生物種 | Homo sapiens (Human) |
タンパク質・核酸の鎖数 | 2 |
化学式量合計 | 30360.79 |
構造登録者 | |
主引用文献 | Johnson, C.N.,Ahn, J.S.,Buck, I.M.,Chiarparin, E.,Day, J.E.H.,Hopkins, A.,Howard, S.,Lewis, E.J.,Martins, V.,Millemaggi, A.,Munck, J.M.,Page, L.W.,Peakman, T.,Reader, M.,Rich, S.J.,Saxty, G.,Smyth, T.,Thompson, N.T.,Ward, G.A.,Williams, P.A.,Wilsher, N.E.,Chessari, G. A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmorpholin-4-yl]methyl)piperazin-1-yl]ethan-1-one (ASTX660). J. Med. Chem., 61:7314-7329, 2018 Cited by PubMed: 30091600DOI: 10.1021/acs.jmedchem.8b00900 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (2.63 Å) |
構造検証レポート
検証レポート(詳細版)
をダウンロード
![ダウンロード](/newweb/media/icons/dl.png)