A Quantitative Structure-Activity Relationship and Molecular Modeling Study on a Series of Heteroaryl- and Heterocyclyl-Substituted Imidazo[1,2-a]Pyridine Derivatives Acting as Acid Pump Antagonists

Figure 5

A model showing the binding modes of a compound of training set (compd 3, Table 1), a compound of test set (compd 4, Table 1), and a compound of predicted set (compd 2, Table 2) in purple, yellow, and green, respectively. The red surface shows strong hydrophobic zone and blue one the low hydrophobic zone.