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3VAP
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BU of 3vap by Molmil
Synthesis and SAR Studies of imidazo-[1,2-a]-pyrazine Aurora kinase inhibitors with improved off target kinase selectivity
分子名称: 3-(1-{2-[(3-fluoropyridinium-4-yl)amino]-2-oxoethyl}-1H-pyrazol-4-yl)-6-methyl-8-[(3-{[(1R,3R)-3-methylpiperidinium-1-yl]methyl}-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-1-ium, Aurora kinase A
著者Voss, M.E, Rainka, M.P, Fleming, M, Peterson, L.H, Belanger, D.B, Siddiqui, M.A, Hruza, A, Voigt, J, Basso, A.D, Gray, K.
登録日2011-12-29
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Synthesis and SAR studies of imidazo-[1,2-a]-pyrazine Aurora kinase inhibitors with improved off-target kinase selectivity.
Bioorg.Med.Chem.Lett., 22, 2012
1FT4
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BU of 1ft4 by Molmil
PHOTOCHEMICALLY-ENHANCED BINDING OF SMALL MOLECULES TO THE TUMOR NECROSIS FACTOR RECEPTOR-1
分子名称: 5-(3-MORPHOLIN-4-YL-PROPYL)-2-(3-NITRO-PHENYL)-4-THIOXO-4,5-DIHYDRO-1-THIA-3B,5-DIAZA-CYCLOPENTA[A]PENTALEN-6-ONE, SOLUBLE TUMOR NECROSIS FACTOR RECEPTOR 1
著者Muckelbauer, J.K, Chang, C.-H.
登録日2000-09-11
公開日2001-10-12
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Photochemically enhanced binding of small molecules to the tumor necrosis factor receptor-1 inhibits the binding of TNF-alpha.
Proc.Natl.Acad.Sci.USA, 98, 2001
7NA2
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BU of 7na2 by Molmil
HDM2 in complex with compound 56
分子名称: 3-[4-(5-chloropyridin-3-yl)-2-[(4aR,7aR)-hexahydrocyclopenta[b][1,4]oxazin-4(4aH)-yl]-3-{[(1r,4R)-4-methylcyclohexyl]methyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, Isoform 11 of E3 ubiquitin-protein ligase Mdm2
著者Scapin, G.
登録日2021-06-19
公開日2021-11-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7NA3
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BU of 7na3 by Molmil
HDM2 in complex with compound 62
分子名称: 3-[4-(5-chloropyridin-3-yl)-2-[(2S)-1-methoxypropan-2-yl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, Isoform 11 of E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Scapin, G.
登録日2021-06-19
公開日2021-11-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7NA1
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BU of 7na1 by Molmil
HDM2 in complex with compound 2
分子名称: 8-(1-benzothiophen-5-yl)-7-[(4-chlorophenyl)methyl]-6-{[(1R)-1-cyclopropylethyl]amino}-7H-purine-2-carboxylic acid, CITRIC ACID, E3 ubiquitin-protein ligase Mdm2, ...
著者Scapin, G.
登録日2021-06-19
公開日2021-11-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021
7NA4
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BU of 7na4 by Molmil
HDM2 in complex with compound 63
分子名称: 3-[4-(5-chloropyridin-3-yl)-2-[(R)-cyclopropyl(ethoxy)methyl]-3-{(1R)-1-[(1r,4R)-4-methylcyclohexyl]ethyl}-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazol-5(4H)-one, CHLORIDE ION, GLYCEROL, ...
著者Scapin, G.
登録日2021-06-19
公開日2021-11-10
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Discovery of MK-4688 : an Efficient Inhibitor of the HDM2-p53 Protein-Protein Interaction.
J.Med.Chem., 64, 2021

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件を2024-07-17に公開中

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