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In an effort to rationalise the observed ABL kinase inhibitory outcomes from the 3D structural perspective, the direct compounds I and II, along with the newly developed derivatives 4a, 4b, and five were docked during the catalytic kinase domains of BCR-ABLWT (PDB code: 3OXZ) and BCR-ABLT315I (PDB code: 3OY3)34. The docking review unveiled the exis