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The solution structure of MLL•KIX shows that one polar (T2857) and four hydrophobic (I2849, F2852, V2853, and L2854) residues make extensive contacts with KIX.(32) MLL residues F2852, L2854, and T2857 are predicted to be mimicked by iTAD 1 functional groups benzyl, isobutyl, and hydroxyl, respectively. MLL amino acid I2849 is predicted to be mimicked by a ring B substituent of 8 with ring A binding in a similar orientation to iTAD 1.
