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a. Lowest Tanimoto score per site of any new hit to any previous cryo hit from the original screen 2, illustrating the extent to which the new hits represent distinct chemical scaffolds at many sites in the protein.
b. Chemical structure of an example new hit (PDB ID 7GTF, y1532) compared to all the previous hits in the same site (site 12), with the Tanimoto score below each.
