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Docking poses of confirmed hPepT1 ligands. The known substrates (A) Ala-Phe and (B) the antiviral valacyclovir are represented in cyan sticks, and (C) the newly characterized hPepT1 substrate (aspartame) and (D) inhibitor (compound 3) are represented in purple sticks. The binding site residues of the dipeptide bound inward-open conformation model (Model 5) are shown in cyan lines. The hydrogen bonds between the ligands and binding site residues are represented in dashed lines.
