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The OX2 OxB binding pose predicts that residue L11 forms a nonpolar interaction with F3467.35, L14 interacts with W21445.54, and H3507.39 forms a hydrophobic interaction with L15 of OxB.
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The top ranked pose predicted for A66 binding to p110γ had a similar orientation to that predicted with p110α; however, the Chemscore fitness value was much lower, indicating a worse fit (Chemscore 7.29 compared with 17.46).
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These docking poses further predict that their bicyclic core reaches into the A1 pocket, while their phenyl ring could stack against the indole ring of the tryptophan (W353) that separates this pocket from the adjacent K4me pocket.
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