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Table 3 Top 4 predicted Homo sapiens targets for captopril

From: Large-scale detection of drug off-targets: hypotheses for drug repurposing and understanding side-effects

Rank Pisces entry Protein Tanimoto Zx Posea RMSD Å CF
1 2VIF_2 Suppressor of cytokine signalling 6 0.3503 3.41 Best RMSD 1.08 −66.59
Best CF 3.86 −187.56
2 4C6E_2 Dihydroorotase 0.3297 3.09 Best RMSD 2.38 −110.18
Best CF 7.42 −281.23
3 1FV1_7 Major histocompatibility complex alpha chain 0.3248 3.01 Best RMSD 1.47 −156.46
Best CF 4.38 −208.51
4 4PNL_5 Tankyrase-2 0.3214 2.96 Best RMSD 1.25 −153.22
Best CF 4.83 −209.89
  1. aIndicates if the RMSD and CF information given in the adjacent columns are from the pose with the best RMSD or with the best docking score (CF)