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So as to rationalise the noticed ABL kinase inhibitory effects from the 3D structural point of view, the direct compounds I and II, plus the recently created derivatives 4a, 4b, and 5 were docked during the catalytic kinase domains of BCR-ABLWT (PDB code: 3OXZ) and BCR-ABLT315I (PDB code: 3OY3)34. The docking analyze disclosed the existence of two