7AIY

Crystal structure of human butyrylcholinesterase in complex with 2-{1-[4-(12-Amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl)butyl]-1H-1,2,3-triazol-4-yl}-N-[4-hydroxy-3-methoxybenzyl]acetamide

Summary for 7AIY

• Entry DOI: 10.2210/pdb7aiy/pdb
• Descriptor: Cholinesterase, 2-{1-[4-(12-Amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl)butyl]-1H-1,2,3-triazol-4-yl}-N-[4-hydroxy-3-methoxybenzyl]acetamide (2 entities in total)
• Functional Keywords: human butyrylcholinesterase, ad, alzheimer disease, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 137566.58

Authors

Coquelle, N.,Colletier, J.P. (deposition date: 2020-09-28, release date: 2021-10-06, Last modification date: 2024-01-31)

• Primary citation: Viayna, E.,Coquelle, N.,Cieslikiewicz-Bouet, M.,Cisternas, P.,Oliva, C.A.,Sanchez-Lopez, E.,Ettcheto, M.,Bartolini, M.,De Simone, A.,Ricchini, M.,Rendina, M.,Pons, M.,Firuzi, O.,Perez, B.,Saso, L.,Andrisano, V.,Nachon, F.,Brazzolotto, X.,Garcia, M.L.,Camins, A.,Silman, I.,Jean, L.,Inestrosa, N.C.,Colletier, J.P.,Renard, P.Y.,Munoz-Torrero, D.; Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that Alleviates Alzheimer-like Pathology in Old APP/PS1 Mice.; J.Med.Chem., 64:812-839, 2021; PubMed: 33356266; DOI: 10.1021/acs.jmedchem.0c01775

Experimental method

X-RAY DIFFRACTION (2.937 Å)