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Docking results

Sortable table and score distributions for docking results. The default view collapses poses to one best pose per ligand so decisions start from compounds, not pose duplicates.

DB fairmol
Ligand priority Viewer Experiments Reverse docking
589 ligands default: one best pose per compound ★ Native available
T. cruzi R5P · T21
T. cruzi PDB 3K7O
Protein: Ribose-5-phosphate isomerase B
# Compound Alt poses Score ▲ Final rank Inter norm H-bonds Contacts Jaccard Contact recall HB recall HB role recall Assessment ↕ GDS
1 Z19138088
T21
 0 -23.941 2.7529 -0.8005 10 17 0.63 0.86 0.50 0.56 Reject —
2 Z49606031
T21
 0 -29.836 2.6546 -0.8672 9 12 0.73 0.79 0.33 0.33 Reject —
3 ulfkktlib_2298
T21
 0 -22.719 1.9746 -0.8557 13 14 0.56 0.71 0.50 0.56 Weak —
4 OHD_TbNat_123
T21
 0 -24.209 0.5931 -0.8055 5 16 0.76 0.93 0.25 0.33 Weak —
5 Z2755722093
T21
 0 -22.364 0.9237 -1.5559 11 15 0.93 1.00 0.50 0.67 Promising —

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