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(a) The SH3 binding model proposed by Pyke et al.37 (b) Space-filling model of conjugate 4b docked to the Lyn SH3 domain, indicating the hydrophobic cleft above Trp99. (c) An alternative view of the docked model, with key binding residues shown explicitly. Docking studies were performed in GOLD (CCDC). The aminoquinoline core was then locked and a reasonable binding model built through bond rotation of the flexible alkyl linker.
