6H12
Crystal structure of TcACHE complexed to 1-(6-Oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)-3-(4-(((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)pyridin-2-yl)urea
6H12 の概要
エントリーDOI | 10.2210/pdb6h12/pdb |
分子名称 | Acetylcholinesterase, 1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{R})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... (11 entities in total) |
機能のキーワード | complex, inhibitor, alzheimer, acetylcholinesterase, multi-target-directed ligands, mtdl, hydrolase |
由来する生物種 | Tetronarce californica (Pacific electric ray) |
タンパク質・核酸の鎖数 | 2 |
化学式量合計 | 133467.86 |
構造登録者 | |
主引用文献 | Oukoloff, K.,Coquelle, N.,Bartolini, M.,Naldi, M.,Le Guevel, R.,Bach, S.,Josselin, B.,Ruchaud, S.,Catto, M.,Pisani, L.,Denora, N.,Iacobazzi, R.M.,Silman, I.,Sussman, J.L.,Buron, F.,Colletier, J.P.,Jean, L.,Routier, S.,Renard, P.Y. Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3. Eur.J.Med.Chem., 168:58-77, 2019 Cited by PubMed: 30798053DOI: 10.1016/j.ejmech.2018.12.063 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (2.2 Å) |
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