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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.

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19 ligands default: one best pose per compound
T. brucei TR · T17
T. brucei PDB 5S9T
Protein: Trypanothione reductase
Binding site: Doorstop site
# Compound Alt poses Score ▲ Final rank Inter norm H-bonds Contacts Assessment ↕ GDS
1 Z49576389
T17
0 -23.965 3.2000 -0.7672 9 20 Reject
2 OHD_Leishmania_480
T17
0 -17.569 2.8420 -0.6418 4 20 Reject
3 Z281786934
T17
0 -23.353 2.7138 -1.2949 6 11 Promising
4 Z1269163651
T17
0 -23.334 2.9633 -1.6394 11 14 Reject
5 OHD_MAC_47
T17
0 -19.193 2.2105 -0.6692 12 21 Reject

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