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The binding mode of TP-3654 with ABCG2 protein structure (PDB:6VXH) was predicted by Accelrys Discovery Studio 4.0 software as described in Section 4. TP-3654 is shown as a molecular model with highlighted yellow color and the atoms for interacting amino acid residues were colored as carbon (gray), oxygen (red), hydrogen (light gray), and nitrogen (blue). Dotted lines indicate proposed interactions.
