Fig. 5.

Pharmacophore model of inhibitors of MRP4-mediated transport of DHEAS. (A) The pharmacophore model with the measured distances between the three features. (B) The pharmacophore model aligned with chemical groups of two drugs from the training set: clobetasol propionate (orange) and finasteride (lavender). Yellow spheres represent hydrophobic features, and the red sphere represents a hydrogen bond acceptor. On the stick model, red represents oxygen atoms, blue represents nitrogen atoms, green represents halogen atoms, and the rest are carbons. Both hydrophobic features align with methyl groups, and the hydrogen bond acceptor aligns with a ketone group. Hydrogen atoms are not displayed for clarity.