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5K5E

Discovery and Structure-Activity Relationships of a Highly Selective Butyrylcholinesterase Inhibitor by Structure-Based Virtual Screening

Summary for 5K5E
Entry DOI10.2210/pdb5k5e/pdb
DescriptorCholinesterase, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... (7 entities in total)
Functional Keywordshigh selective inhibitor, butyrylcholinesterase, hydrolase
Biological sourceHomo sapiens (Human)
Total number of polymer chains2
Total formula weight124139.65
Authors
De la Mora, E.,Dighe, S.N.,Deora, G.S.,Ross, B.P.,Nachon, F.,Brazzolotto, X. (deposition date: 2016-05-23, release date: 2016-07-27, Last modification date: 2024-02-07)
Primary citationDighe, S.N.,Deora, G.S.,De la Mora, E.,Nachon, F.,Chan, S.,Parat, M.O.,Brazzolotto, X.,Ross, B.P.
Discovery and Structure-Activity Relationships of a Highly Selective Butyrylcholinesterase Inhibitor by Structure-Based Virtual Screening.
J.Med.Chem., 59:7683-7689, 2016
Cited by
PubMed: 27405689
DOI: 10.1021/acs.jmedchem.6b00356
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.8 Å)
Structure validation

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