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. 2017 Nov 10;13(11):e1005813. doi: 10.1371/journal.pcbi.1005813

Table 1. The number of protein families and their protein-ligand clusters at varying cutoffs for sequence (% identity) and chemical similarity as defined by the Tanimoto coeffficient (Tc) using the extended connectivity fingerprint (ECFP6).

 # Unique Ligands #Protein Families (Providing #Protein-Ligand Clusters)
  100%/1 90%/0.9 75%/0.75 60%/0.6
70,219 Allosteric Ligands 1048 (144,685) 923 (95,955) 858 (54,739) 759 (24,760)
9511 Competitive Ligands 860 (14,215) 757 (13,259) 681 (9157) 599 (5259)