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. Author manuscript; available in PMC: 2020 Jan 28.
Published in final edited form as: J Med Chem. 2020 Jan 7;63(2):656–675. doi: 10.1021/acs.jmedchem.9b01608

Figure 2.

Figure 2.

X-ray co-crystal structure of 13 bound to WDR5 (PDB ID: 6UFX). (A) Compound 13 (green-carbon capped sticks) bound to WDR5 represented as semi-transparent electrostatic potential surface with S2, S4, and S7 binding regions denoted. (B) Key H-bond (red dashed lines) and π–π stacking interaction residues of WDR5 that interact with 13. (C) Compound 13 with hydrogen atoms highlighting the design of the bicyclic dihydroisoquinolinone core.