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A three-feature pharmacophore model for the hERG blockers, MK499 (colored in cyan) and astemizole (colored in green). The crystal structure of astemizole was retrieved from the Cambridge Structural Database (CSD), to which the structure of MK499 was superposed by using Flexible Alignment in the MOE. The three consensus pharmacopheric features are one positive charge center (POS, colored in purple), and two aromatic centers (ARO, colored in orange).
