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2VNT
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BU of 2vnt by Molmil
UROKINASE-TYPE PLASMINOGEN ACTIVATOR INHIBITOR COMPLEX WITH A 1-(7- SULPHOAMIDOISOQUINOLINYL)GUANIDINE
分子名称: 1-({4-CHLORO-1-[(DIAMINOMETHYLIDENE)AMINO]ISOQUINOLIN-7-YL}SULFONYL)-D-PROLINE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR
著者Fish, P.V, Barber, C.G, Brown, D.G, Butt, R, Henry, B.T, Horne, V, Huggins, J.P, Mccleverty, D, Phillips, C, Webster, R, Dickinson, R.P, Collis, M.G, King, E, O'Gara, M, Mcintosh, F.
登録日2008-02-07
公開日2008-02-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Selective Urokinase-Type Plasminogen Activator (Upa) Inhibitors 4. 1-(7-Sulphonamidoisoquinolinyl) Guanidines
J.Med.Chem., 50, 2007
3KX1
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BU of 3kx1 by Molmil
Cathepsin K in complex with a selective 2-cyano-pyrimidine inhibitor
分子名称: 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile, Cathepsin K, SULFATE ION
著者Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
登録日2009-12-02
公開日2010-03-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3KW9
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BU of 3kw9 by Molmil
X-ray structure of Cathepsin K covalently bound to a triazine ligand
分子名称: 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile, Cathepsin K, trifluoroacetic acid
著者Uitdehaag, J.C.M, van Zeeland, M.
登録日2009-12-01
公開日2010-03-02
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3KWZ
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BU of 3kwz by Molmil
Cathepsin K in complex with a non-selective 2-cyano-pyrimidine inhibitor
分子名称: 4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile, Cathepsin K, SULFATE ION
著者Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
登録日2009-12-02
公開日2010-03-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3O1G
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BU of 3o1g by Molmil
Cathepsin K covalently bound to a 2-cyano pyrimidine inhibitor with a benzyl P3 group.
分子名称: Cathepsin K, N-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide, SULFATE ION
著者Fradera, X, van Zeeland, M, Uitdehaag, J.C.M.
登録日2010-07-21
公開日2010-10-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG.
Bioorg.Med.Chem.Lett., 20, 2010
3O0U
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BU of 3o0u by Molmil
Cathepsin K covalently bound to a cyano-pyrimidine inhibitor with improved selectivity over hERG
分子名称: 3-{2-[(E)-iminomethyl]-6-propylpyrimidin-4-yl}-N,N-dimethyl-5-(trifluoromethyl)benzamide, Cathepsin K
著者Fradera, X, van Zeeland, M, Uitdehaag, J.C.M.
登録日2010-07-20
公開日2011-03-30
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG.
Bioorg.Med.Chem.Lett., 20, 2010
3OVX
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BU of 3ovx by Molmil
Cathepsin S in complex with a covalent inhibitor with an aldehyde warhead
分子名称: 2-chloro-N-[(1S)-1-formylpropyl]-3-(trifluoromethyl)benzamide, Cathepsin S, DIMETHYL SULFOXIDE
著者Fradera, X, van Zeeland, M, Uitdehaag, J.C.M.
登録日2010-09-17
公開日2010-12-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3OVZ
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BU of 3ovz by Molmil
Cathepsin K in complex with a covalent inhibitor with a ketoamide warhead
分子名称: Cathepsin K, N-[(1S)-3-amino-1-ethyl-2,3-dioxopropyl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide, SULFATE ION
著者Fradera, X, van Zeeland, M, Uitdehaag, J.C.M.
登録日2010-09-17
公開日2010-12-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3N3G
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BU of 3n3g by Molmil
4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important
分子名称: (E)-1-(6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridin-2-yl)methanimine, 6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile, Cathepsin S, ...
著者Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
登録日2010-05-20
公開日2010-07-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important.
Bioorg.Med.Chem.Lett., 20, 2010
3N4C
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BU of 3n4c by Molmil
6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors
分子名称: (E)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1H-imidazo[4,5-c]pyridin-4-yl)methanimine, Cathepsin S, DIMETHYL SULFOXIDE, ...
著者Fradera, X, Uitdehaag, J.C.M, van Zeeland, M.
登録日2010-05-21
公開日2011-04-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010

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件を2024-07-17に公開中

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