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. 2023 Jul 13;145(29):15936–15950. doi: 10.1021/jacs.3c03749

Figure 12.

Figure 12

Comparison of the chemical structures of the novel ligands identified by the VS pipeline with the chemical structure of the corresponding ligand in the FBH database with the highest Tanimoto similarity coefficient: 0.53 for E163 and 12, 0.54 for E197 and 13, 0.53 for E363 and 14, 0.50 for E570 and 15, and 0.51 for E704 and 16.