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. 2015 May;43(5):725–734. doi: 10.1124/dmd.114.062539

Fig. 9.

Fig. 9.

DHEAS, an MRP4 substrate, and felbinac, an MRP4 inhibitor, aligned with the MRP4 inhibitor pharmacophore. Both compounds are also depicted with their individual pharmacophore, which shows all possible intermolecular interactions. (A) DHEAS aligned to the MRP4 pharmacophore. (B) DHEAS pharmacophore showing all possible intermolecular interactions. (C) Felbinac aligned to the MRP4 pharmacophore. (D) Felbinac pharmacophore showing all possible interactions. Yellow spheres represent hydrophobic features, red spheres represent hydrogen bond acceptor features, the red star represents a negatively ionizable feature, and the purple torus represents an aromatic ring feature. On the stick models, red represents oxygen atoms, yellow represents phosphorus atoms, and the rest represents carbon atoms. Hydrogen atoms are not displayed for clarity.