Figure 5 | Scientific Reports

Figure 5

From: A structure-based computational workflow to predict liability and binding modes of small molecules to hERG

Figure 5

Cisapride low-energy binding mode (a) Structure of the Cisapride-bound channel side view with the extracellular side on the top and 90° rotated extracellular view. (b) A zoomed-in view of the cisapride bound to the central cavity. (c) A 2D representation of cisapride interactions with the residues in the central cavity. (Numbers show the distance between the two groups in angstrom). SF selectivity filter, CC central cavity.

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