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. 2013 Oct 15;4(12):1173–1177. doi: 10.1021/ml400260b

Figure 2.

Figure 2

Molecular modeling of 2-arylquinazolin-4-one inhibitors into the structure of the nicotinamide-binding site of tankyrase-2. The upper four panels compare the binding of the 8-substituent while keeping the 2-aryl group constant. The lower five panels show the location of the 2-aryl group in the hydrophobic pocket, placing the 4′-substituent in a narrower tunnel through to solvent water.