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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Detalles Bibliográficos
Autores principales: Matijssen, Cornelis, Silva-Santisteban, M. Cris, Westwood, Isaac M., Siddique, Samerene, Choi, Vanessa, Sheldrake, Peter, van Montfort, Rob L.M., Blagg, Julian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier Science 2012
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3778940/
https://www.ncbi.nlm.nih.gov/pubmed/23058106
http://dx.doi.org/10.1016/j.bmc.2012.09.024

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3778940/
https://www.ncbi.nlm.nih.gov/pubmed/23058106
http://dx.doi.org/10.1016/j.bmc.2012.09.024

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