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Common feature pharmacophore of NTCP inhibitors. The pharmacophore employed the 11 most potent inhibitors from initial screening and the 12 inactive compounds were used for developing the excluded volumes. Ezetimibe (shown as stick format) is used as the shape restriction (grey) due to its high potency (i.e. smallest observed Ki of 25.0 μM). Pharmacophore features are two hydrophobes (cyan), one hydrogen bond acceptor (green), and 10 excluded volumes (grey).
