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. 2019 Sep 6;24(18):3250. doi: 10.3390/molecules24183250

Table 2.

Docking results against the homology model of the Fophy protein.

Compound ΔGbinding (kcal/mol) Interaction Bond Length (Å)
2 −5.84 N(pyridine)–(H)Ser431 2.33
3 −6.78 N(pyridine)–(H)Ser431 2.15
O(NO2)–(O)Glu422 3.16
O(NO2)–(O)Asp329 3.41
O(NO2)–(HN)Ile326 3.54