7QHE

Human Butyrylcholinesterase in complex with (S)-1-(4-((naphthalen-1-yl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide

Summary for 7QHE

Entry DOI	10.2210/pdb7qhe/pdb
Descriptor	Cholinesterase, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... (9 entities in total)
Functional Keywords	butyrylcholinesterase, inhibitor, complex, hydrolase
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	63188.92
Authors	Brazzolotto, X.,Jing, L.,Zhan, P.,Liu, X.,Nachon, F. (deposition date: 2021-12-12, release date: 2022-12-21, Last modification date: 2024-02-07)
Primary citation	Jing, L.,Wei, W.,Meng, B.,Chantegreil, F.,Nachon, F.,Martinez, A.,Wu, G.,Zhao, H.,Song, Y.,Kang, D.,Brazzolotto, X.,Zhan, P.,Liu, X. Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies. Bioorg.Chem., 134:106465-106465, 2023 Cited by PubMed: 36933339 DOI: 10.1016/j.bioorg.2023.106465 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.47 Å)

Structure validation