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Predicted binding mode of compound 90 (violet) in the outward-open model of LAT1 showing disulfide (A) and trisulfide (B) bond formation between the ligand and C407. The gate residue F252 is in the vicinity of the covalently bound ligand. Reactive docking of compound 90 against the outward-open model of LAT1 was performed using CovDock [132].
