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. Author manuscript; available in PMC: 2011 Nov 15.
Published in final edited form as: Bioorg Med Chem Lett. 2010 Sep 19;20(22):6394–6399. doi: 10.1016/j.bmcl.2010.09.088

Figure 2.

Figure 2

Minimized predicted lowest-energy binding pose of compound C (A) and compound 5 (B) (carbons in magenta) in complex with the hAMPK α2 subunit without their respective ethylpiperidinyl or ethylmorpholino tails. The hydrogen-bonds between the pyridinone oxygen and the zeta nitrogen of Lys-45; the pyridinone nitrogen and the delta oxygen of Asp-157 (B) and between the pyrazolopyrimidine core and the backbone nitrogen of Val-96 in the hinge region (A, B) are shown in green. Note that the DFG loop (orange) is in the ‘in’ conformation.