Benzimidazole inhibitors of the protein kinase CHK2: Clarification of the binding mode by flexible side chain docking and protein–ligand crystallography

Two closely related binding modes have previously been proposed for the ATP-competitive benzimidazole class of checkpoint kinase 2 (CHK2) inhibitors; however, neither binding mode is entirely consistent with the reported SAR. Unconstrained rigid docking of benzimidazole ligands into representative C...

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Библиографические подробности
Главные авторы: Matijssen, Cornelis, Silva-Santisteban, M. Cris, Westwood, Isaac M., Siddique, Samerene, Choi, Vanessa, Sheldrake, Peter, van Montfort, Rob L.M., Blagg, Julian
Формат: Artigo
Язык:Inglês
Опубликовано: Elsevier Science 2012
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Article
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC3778940/
https://ncbi.nlm.nih.gov/pubmed/23058106
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bmc.2012.09.024
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