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X ray crystallographic data are deposited in the Protein Data Bank under the accession codes 2HUW and 2HUY. This latter was obseleted on 2008-08-12 and superceded by 3C7I.
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3): m/z 417, 419, 421], resulting from the reaction of hydroquinone as an aryloxide C-nucleophile, and an unidentified compound.
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For an alternative method (i.e., a copper-catalyzed arylboronic acid-heteroatom coupling) to access such a boronic acid, see:. Pennington T.E., Kardiman C., and Hutton C.A. Tetrahedron Lett. 45 (2004) 6657-6660
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For the value of α,β-unsaturated ketones as key intermediates for the synthesis of pyrimidines on the solid phase, see:
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For the value of α,β-unsaturated ketones as key intermediates for the synthesis of pyrimidines on the solid phase, see:. Marzinzik A.L., and Felder E.R.J. Org. Chem. 63 (1998) 723-727
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85083151915
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50 = 174 μM): see, XXth International Symposium on Medicinal Chemistry, August 31- September 4, 2008, Vienna, Austria. Poster Presentation P527 Development of non-peptide inhibitors of Her2-Grb2 interaction using molecular modeling and NMR spectroscopy. M.L. López-Rodriguez, S. Ortega-Gutiérrez, B. Benhamú, Á.L. Orcajo, P. Serrano, A.Viso, I.R. Torrecillas, M. Campillo, L. Pardo, K. Wüthrich.
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See Supporting information
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See Supporting information.
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92
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85083136962
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note
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Low-temperature molecular dynamics (300 steps of 5 picoseconds each, T = 100 K, ε = 4.) were done with the Discover module and the Cff91 force-field of the Insight II package (Accelrys, Inc). We resorted to the crystal structure of the complex of 1 with Grb2-SH2 to dock 1 and all non-peptidic compounds in the binding site.
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