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Figure 9 As deduced from computational docking the S -isomer is the preferred binding mode of the inhibitors although alternative binding conformations were suggested (Albiston et al., 2010b) However, after determination of the crystal structure of IRAP, computational docking of, e.g., 37 , 38 , and 39 into the IRAP structure demonstrated that these inhibitors all bind in the same orientation relative to the active site (Hermans et al., 2015), in contrast to conclusions drawn in previous modeling studies

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