6H13
Crystal structure of TcACHE complexed to1-(4-((Methyl((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methyl)amino)methyl)pyridin-2-yl)-3-(6-oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)urea
Summary for 6H13
Entry DOI | 10.2210/pdb6h13/pdb |
Descriptor | Acetylcholinesterase, 2-acetamido-2-deoxy-beta-D-glucopyranose, [1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methyl-[[2-[[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]carbamoylamino]pyridin-4-yl]methyl]-methyl-azanium, ... (8 entities in total) |
Functional Keywords | complex, inhibitor, alzheimer, acetylcholinesterase, multi-target-directed ligands, mtdl, hydrolase |
Biological source | Tetronarce californica (Pacific electric ray) |
Total number of polymer chains | 2 |
Total formula weight | 131542.72 |
Authors | Coquelle, N.,Colletier, J.P. (deposition date: 2018-07-10, release date: 2019-05-15, Last modification date: 2024-01-17) |
Primary citation | 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 PDB entries with the same primary citation |
Experimental method |
Structure validation
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