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Molecular docking of substituted pteridinones and pyrimidines to the ATP-binding site of the N-terminal domain of RSK2 and associated MM/GBSA and molecular field datasets

The data have been obtained for a series of substituted pteridinones and pyrimidines that were developed based on BI-D1870 to establish a structure-activity relationship for RSK inhibition. The 19 compounds, 12 of these with R- and S-isomeric forms, were docked into the ATP-binding site of the N-ter...

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Publicat a:Data Brief
Autors principals: Casalvieri, Kimberly A., Matheson, Christopher J., Backos, Donald S., Reigan, Philip
Format: Artigo
Idioma:Inglês
Publicat: Elsevier 2020
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC7082523/
https://ncbi.nlm.nih.gov/pubmed/32211459
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.dib.2020.105347
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