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. 2012 Aug 10;3(9):749–753. doi: 10.1021/ml300162r

Figure 3.

Figure 3

Comparison of the NMR structure of apicidin (left) with one of the low energy calculated structures of compounds 9/10 (right). Side chain atoms have been removed for clarity. Even though the amide bond between positions 1 and 2 adopts a different cis/trans configuration, the distances and vectors between pharmacophoric side chains are nearly identical.