Figure 2

Statistical analyses for entries in the MTLD. (A) 815 (47.1%) entries belong to the Kyoto Encyclopedia of Genes and Genomes database; (B) 222 (12.8%) entries are approved drugs from the DrugBank database; (C) 1334 (76.9%) entries are drug-like compounds according to Lipinski’s rule of five; (D) molecular weights of most ligands are ≤500 Da. (E) Statistical analyses of the target number of ligands included in the MTLD: 795 ligand entries bind two targets; 551 ligand entries bind 3–5 targets; 189 ligand entries bind 6–10 targets; and 197 ligand entries bind to >10 targets; (F) Comparison of the conformation of a ligand bound to different targets. Root-mean-square deviation (RMSD) value was calculated to evaluate the change in conformation: the RMSD value of most ligands was ≤2 Å, indicating a small conformational change.