NDLI: Second-generation CK2α inhibitors targeting the αD pocket† †Electronic supplementary information (ESI) available: All experimental details, crystallographic data collection and refinement statistics, details of chemical synthesis, additional figures and tables. See DOI: 10.1039/c7sc05122k

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Second-generation CK2α inhibitors targeting the αD pocket† †Electronic supplementary information (ESI) available: All experimental details, crystallographic data collection and refinement statistics, details of chemical synthesis, additional figures and tables. See DOI: 10.1039/c7sc05122k

Content Provider	Semantic Scholar
Author	Iegre, Jessica Brear, Paul Fusco, Claudia De Yoshida, Masao Mitchell, Sophie L. Rossmann, Maxim Carro, Laura Sore, Hannah F. Hyvönen, Marko Spring, David R.
Copyright Year	2018
Abstract	CK2 is a critical cell cycle regulator that also promotes various anti-apoptotic mechanisms. Development of ATP-non-competitive inhibitors of CK2 is a very attractive strategy considering that the ATP binding site is highly conserved among other kinases. We have previously utilised a pocket outside the active site to develop a novel CK2 inhibitor, CAM4066. Whilst CAM4066 bound to this new pocket it was also interacting with the ATP site: herein, we describe an example of a CK2α inhibitor that binds completely outside the active site. This second generation αD-site binding inhibitor, compound CAM4712 (IC50 = 7 μM, GI50 = 10.0 ± 3.6 μM), has numerous advantages over the previously reported CAM4066, including a reduction in the number of rotatable bonds, the absence of amide groups susceptible to the action of proteases and improved cellular permeability. Unlike with CAM4066, there was no need to facilitate cellular uptake by making a prodrug. Moreover, CAM4712 displayed no drop off between its ability to inhibit the kinase in vitro (IC50) and the ability to inhibit cell proliferation (GI50).
Starting Page	3041
Ending Page	3049
Page Count	9
File Format	PDF HTM / HTML
DOI	10.1039/c7sc05122k
PubMed reference number	29732088
Journal	Medline
Volume Number	9
Alternate Webpage(s)	https://pubs.rsc.org/en/content/articlepdf/2018/SC/C7SC05122K
Alternate Webpage(s)	http://www.rsc.org/suppdata/c7/sc/c7sc05122k/c7sc05122k1.pdf
Alternate Webpage(s)	http://pubs.rsc.org/en/content/articlepdf/2014/SC/C7SC05122K?page=search
Alternate Webpage(s)	https://doi.org/10.1039/c7sc05122k
Journal	Chemical science
Language	English
Access Restriction	Open
Content Type	Text
Resource Type	Article

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