6EZG

Torpedo californica AChE in complex with indolic multi-target directed ligand

Summary for 6EZG

Entry DOI	10.2210/pdb6ezg/pdb
Related	1ea5 1eve 2w75
Descriptor	Acetylcholinesterase, 2-acetamido-2-deoxy-beta-D-glucopyranose, 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(phenylmethyl)piperidin-4-yl]propan-1-one, ... (5 entities in total)
Functional Keywords	acetylcholinesterase, multi-target inhibitor, alzheimer desease, hydrolase
Biological source	Tetronarce californica (Pacific electric ray)
Total number of polymer chains	2
Total formula weight	123391.98
Authors	Santoni, G.,Lalut, J.,Karila, D.,Lecoutey, C.,Davis, A.,Nachon, F.,Sillman, I.,Sussman, J.,Weik, M.,Maurice, T.,Dallemagne, P.,Rochais, C. (deposition date: 2017-11-15, release date: 2018-11-21, Last modification date: 2020-07-29)
Primary citation	Lalut, J.,Santoni, G.,Karila, D.,Lecoutey, C.,Davis, A.,Nachon, F.,Silman, I.,Sussman, J.,Weik, M.,Maurice, T.,Dallemagne, P.,Rochais, C. Novel multitarget-directed ligands targeting acetylcholinesterase and sigma1receptors as lead compounds for treatment of Alzheimer's disease: Synthesis, evaluation, and structural characterization of their complexes with acetylcholinesterase. Eur J Med Chem, 162:234-248, 2018 Cited by PubMed: 30447434 DOI: 10.1016/j.ejmech.2018.10.064 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.2 Å)

Structure validation