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Hit scaffolds overlaid with the e-pharmacophore. Compound structures of hit compounds 4 (A), 5 (B), and 6 (C) extracted from the energetically stabilized Rev1-CT/ligand MD complexes were overlaid with our D1R1R2D2 e-pharmacophore. The compound structure is represented as ball and stick and the e-pharmacophore represented as a line structure.
