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6XYU
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BU of 6xyu by Molmil
Update of AChE from Drosophila Melanogaster complex with tacrine derivative 9-(3-iodobenzylamino)-1,2,3,4-tetrahydroacridine
分子名称: 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE, Acetylcholinesterase, IODIDE ION, ...
著者Nachon, F, Sussman, J.L.
登録日2020-01-31
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献A Second Look at the Crystal Structures ofDrosophila melanogasterAcetylcholinesterase in Complex with Tacrine Derivatives Provides Insights Concerning Catalytic Intermediates and the Design of Specific Insecticides.
Molecules, 25, 2020
8AM2
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BU of 8am2 by Molmil
Human butyrylcholinesterase in complex with 2,2'-(((1E,1'E)-(2-phenylpyrimidine-4,6-diyl)bis(methaneylylidene))bis(hydrazin-1-yl-2-ylidene))bis(N,N,N-trimethyl-2-oxoethan-1-aminium)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Nachon, F, Brazzolotto, X, Dias, J.
登録日2022-08-02
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions.
Chembiochem, 23, 2022
8AM1
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BU of 8am1 by Molmil
Human butyrylcholinesterase in complex with zinc and N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, AMMONIUM ION, ...
著者Nachon, F, Brazzolotto, X, Dias, J.
登録日2022-08-02
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions.
Chembiochem, 23, 2022
1XLU
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BU of 1xlu by Molmil
X-Ray Structure Of Di-Isopropyl-Phosphoro-Fluoridate (Dfp) Inhibited Butyrylcholinesterase after Aging
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nachon, F, Asojo, O.A, Borgstahl, G.E.O, Masson, P, Lockridge, O.
登録日2004-09-30
公開日2005-02-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Role of Water in Aging of Human Butyrylcholinesterase Inhibited by Echothiophate: The Crystal Structure Suggests Two Alternative Mechanisms of Aging
Biochemistry, 44, 2005
1XLV
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Ethylphosphorylated Butyrylcholinesterase (Aged) Obtained By Reaction With Echothiophate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nachon, F, Asojo, O.A, Borgstahl, G.E.O, Masson, P, Lockridge, O.
登録日2004-09-30
公開日2005-02-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.247 Å)
主引用文献Role of Water in Aging of Human Butyrylcholinesterase Inhibited by Echothiophate: The Crystal Structure Suggests Two Alternative Mechanisms of Aging
Biochemistry, 44, 2005
1XLW
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Diethylphosphorylated Butyrylcholinesterase (Nonaged) Obtained By Reaction With Echothiophate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nachon, F, Asojo, O.A, Borgstahl, G.E.O, Masson, P, Lockridge, O.
登録日2004-09-30
公開日2005-02-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Role of Water in Aging of Human Butyrylcholinesterase Inhibited by Echothiophate: The Crystal Structure Suggests Two Alternative Mechanisms of Aging
Biochemistry, 44, 2005
8AEV
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BU of 8aev by Molmil
Human acetylcholinesterase in complex with N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium
分子名称: 1-(2-(2-((6-(dihydroxymethyl)-2-phenylpyrimidin-4-yl)methylene)hydrazineyl)-2-oxoethyl)pyridin-1-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nachon, F, Dias, J, Brazzolotto, X.
登録日2022-07-13
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions.
Chembiochem, 23, 2022
8AEN
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BU of 8aen by Molmil
Human acetylcholinesterase in complex with zinc and N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ...
著者Nachon, F, Dias, J, Brazzolotto, X.
登録日2022-07-13
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions.
Chembiochem, 23, 2022
6XYY
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BU of 6xyy by Molmil
Update of ACHE FROM DROSOPHILA MELANOGASTER COMPLEX WITH TACRINE DERIVATIVE 9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 9-(3-PHENYLMETHYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE, Acetylcholinesterase, ...
著者Nachon, F, Sussman, J.L.
登録日2020-01-31
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A Second Look at the Crystal Structures ofDrosophila melanogasterAcetylcholinesterase in Complex with Tacrine Derivatives Provides Insights Concerning Catalytic Intermediates and the Design of Specific Insecticides.
Molecules, 25, 2020
6XYS
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BU of 6xys by Molmil
Update of native acetylcholinesterase from Drosophila Melanogaster
分子名称: ACETATE ION, Acetylcholinesterase, CHLORIDE ION, ...
著者Nachon, F, Sussman, J.L.
登録日2020-01-31
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献A Second Look at the Crystal Structures ofDrosophila melanogasterAcetylcholinesterase in Complex with Tacrine Derivatives Provides Insights Concerning Catalytic Intermediates and the Design of Specific Insecticides.
Molecules, 25, 2020
4BDS
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BU of 4bds by Molmil
Human butyrylcholinesterase in complex with tacrine
分子名称: 1-formyl-L-proline, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nachon, F, Carletti, E, Ronco, C, Trovaslet, M, Nicolet, Y, Jean, L, Renard, P.-Y.
登録日2012-10-06
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Human Cholinesterases in Complex with Huprine W and Tacrine: Elements of Specificity for Anti-Alzheimer'S Drugs Targeting Acetyl- and Butyrylcholinesterase.
Biochem.J., 453, 2013
4BDT
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BU of 4bdt by Molmil
Human acetylcholinesterase in complex with huprine W and fasciculin 2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, CHLORIDE ION, ...
著者Nachon, F, Carletti, E, Ronco, C, Trovaslet, M, Nicolet, Y, Jean, L, Renard, P.-Y.
登録日2012-10-06
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.104 Å)
主引用文献Crystal structures of human cholinesterases in complex with huprine W and tacrine: elements of specificity for anti-Alzheimer's drugs targeting acetyl- and butyryl-cholinesterase.
Biochem. J., 453, 2013
2XMB
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BU of 2xmb by Molmil
G117H mutant of human butyrylcholinesterase in complex with sulfate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Nachon, F, Carletti, E, Wandhammer, M, Nicolet, Y, Schopfer, L.M, Masson, P, Lockridge, O.
登録日2010-07-27
公開日2010-12-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-Ray Crystallographic Snapshots of Reaction Intermediates in the G117H Mutant of Human Butyrylcholinesterase, a Nerve Agent Target Engineered Into a Catalytic Bioscavenge
Biochem.J., 434, 2011
2XMC
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BU of 2xmc by Molmil
G117H mutant of human butyrylcholinesterase in complex with fluoride anion
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Nachon, F, Carletti, E, Wandhammer, M, Nicolet, Y, Schopfer, L.M, Masson, P, Lockridge, O.
登録日2010-07-27
公開日2010-12-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献X-Ray Crystallographic Snapshots of Reaction Intermediates in the G117H Mutant of Human Butyrylcholinesterase, a Nerve Agent Target Engineered Into a Catalytic Bioscavenge
Biochem.J., 434, 2011
2XMD
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BU of 2xmd by Molmil
G117H mutant of human butyrylcholinesterase in complex with echothiophate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nachon, F, Carletti, E, Wandhammer, M, Nicolet, Y, Schopfer, L.M, Masson, P, Lockridge, O.
登録日2010-07-27
公開日2010-12-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-Ray Crystallographic Snapshots of Reaction Intermediates in the G117H Mutant of Human Butyrylcholinesterase, a Nerve Agent Target Engineered Into a Catalytic Bioscavenge
Biochem.J., 434, 2011
2XMG
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BU of 2xmg by Molmil
G117H mutant of human butyrylcholinesterase in complex with VX
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, AMMONIUM ION, ...
著者Nachon, F, Carletti, E, Wandhammer, M, Nicolet, Y, Schopfer, L.M, Masson, P, Lockridge, O.
登録日2010-07-27
公開日2010-12-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献X-Ray Crystallographic Snapshots of Reaction Intermediates in the G117H Mutant of Human Butyrylcholinesterase, a Nerve Agent Target Engineered Into a Catalytic Bioscavenge
Biochem.J., 434, 2011
3DKK
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BU of 3dkk by Molmil
Aged Form of Human Butyrylcholinesterase Inhibited by Tabun
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Nachon, F, Carletti, E.
登録日2008-06-25
公開日2008-12-02
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Aging of Cholinesterases Phosphylated by Tabun Proceeds through O-Dealkylation.
J.Am.Chem.Soc., 130, 2008
7BGC
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BU of 7bgc by Molmil
human butyrylcholinesterase in complex with a tacrine-methylanacardate hybrid inhibitor
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nachon, F, Salerno, A, Bolognesi, M.L.
登録日2021-01-06
公開日2021-04-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Sustainable Drug Discovery of Multi-Target-Directed Ligands for Alzheimer's Disease.
J.Med.Chem., 64, 2021
6EQP
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BU of 6eqp by Molmil
Human butyrylcholinesterase in complex with ethopropazine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Rosenberry, T.L, Macdonald, I.R, Darvesh, S.
登録日2017-10-14
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.349417 Å)
主引用文献Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.
Molecules, 22, 2017
6EP4
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BU of 6ep4 by Molmil
Human butyrylcholinesterase in complex with decamethonium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Rosenberry, T.L, Macdonald, I.R, Darvesh, S.
登録日2017-10-10
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.30005383 Å)
主引用文献Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.
Molecules, 22, 2017
6EQQ
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Human butyrylcholinesterase in complex with huprine 19
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ...
著者Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Rosenberry, T.L, Macdonald, I.R, Darvesh, S.
登録日2017-10-15
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.40000439 Å)
主引用文献Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.
Molecules, 22, 2017
6ESJ
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Human butyrylcholinesterase in complex with propidium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM, ...
著者Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Macdonald, I.R, Darvesh, S, Rosenberry, T.L.
登録日2017-10-20
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.979845 Å)
主引用文献Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.
Molecules, 22, 2017
6ESY
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BU of 6esy by Molmil
Human butyrylcholinesterase in complex with thioflavine T
分子名称: 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nachon, F, Brazzolotto, X, Wandhammer, M, Trovaslet-Leroy, M, Macdonald, I.R, Darvesh, S, Rosenberry, T.L.
登録日2017-10-24
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Comparison of the Binding of Reversible Inhibitors to Human Butyrylcholinesterase and Acetylcholinesterase: A Crystallographic, Kinetic and Calorimetric Study.
Molecules, 22, 2017
8CGO
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BU of 8cgo by Molmil
Structure of human butyrylcholinesterase in complex with N-{[2-(benzyloxy)-3-methoxyphenyl]methyl}-N-[3-(2-fluorophenyl)propyl]cyclobutanamine
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Brazzolotto, X, Pidany, F, Korabecny, J, Cahlikova, L, Nachon, F.
登録日2023-02-06
公開日2023-06-14
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Highly selective butyrylcholinesterase inhibitors related to Amaryllidaceae alkaloids - Design, synthesis, and biological evaluation.
Eur.J.Med.Chem., 252, 2023
5K5E
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BU of 5k5e by Molmil
Discovery and Structure-Activity Relationships of a Highly Selective Butyrylcholinesterase Inhibitor by Structure-Based Virtual Screening
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者De la Mora, E, Dighe, S.N, Deora, G.S, Ross, B.P, Nachon, F, Brazzolotto, X.
登録日2016-05-23
公開日2016-07-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery and Structure-Activity Relationships of a Highly Selective Butyrylcholinesterase Inhibitor by Structure-Based Virtual Screening.
J.Med.Chem., 59, 2016

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