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. Author manuscript; available in PMC: 2019 Sep 6.
Published in final edited form as: ChemMedChem. 2018 Jul 31;13(17):1779–1796. doi: 10.1002/cmdc.201800332

Figure 3.

Figure 3.

Docking study of 7-deaza-PMEApp (compound 40a) to adenylate cyclase domain of ACT in comparison with PMEApp. Picture description: Purple structure – optimized position of parent PMEApp (II). Yellow structure - docking results for compound 40a. Red dot - Mg902 changed to a water molecule; Green dots - Mg901 and Mg903 ions.