Fig. 4.
Z8539 analog with enhanced cell membrane permeability. A) Apparent permeability (Papp) assayed with MDR1-MDCKII cells. Permeability was measured in apical (A)-to-basolateral (B) direction and vice versa. Atenolol and ketoprofen were included as control compounds. B) 2D structures of Z8539, Z8539_0002, and Z8539_2001. C) X-ray crystal structure of Mac1 bound to Z8539_0002. Hydrogen bonding interactions between ligand and the Lys11 backbone nitrogen of a symmetry mate are shown with purple dashes/spheres. PanDDA event maps are shown around the ligand (blue mesh contoured at 2 σ). D) Crystal structure of Mac1 bound to Z8539_2001.