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. 2012 Mar 21;7(3):e33728. doi: 10.1371/journal.pone.0033728

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Tou, Chen.

This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are properly credited.

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Color blocks represent favor/disfavor steric field (green/yellow), favor/disfavor hydrophobic interaction (cyan/white), favor/disfavor hydrogen donor (purple/magenta). Saracatinib (A) forms H-bonds with Met341 which is located near the region favoring hydrogen bond donors and hydrophobic interactions. The compact structures of Isopraeroside IV (B) and 9HGF (C) allowed interactions with Src kinase without defying regions disfavoring interactions. The benzene moieties of aurantiamide (D) were in proximity to the steric disfavoring region, suggesting lower bioactivity.