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Predicted ligand binding models relative to the catalytic domain of poly (ADP-ribose) polymerase 1 (catPARP-1). (A) The co-crystallized binding modes of Talazoparib and the catPARP-1 protein were taken from PDB ID 4PJT. (B) Predicted co-crystallized binding poses of compound 3 in a complex with catPARP-1. (C) Superimposition of the binding models of Tazaloparib (blue) and compound 3 (red) with catPARP-1 protein (green).
