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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 SELECTION
Ligand priority Viewer Experiments Reverse docking
582 ligands default: one best pose per compound ★ Native available
T. brucei R5P · T12
T. brucei PDB 6FXS
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 Z57009636
T12
 0 -22.306 3.6013 -1.2648 11 17 0.65 0.81 0.42 0.50 Weak —
2 OHD_MAC_34
T12
 0 -30.826 4.8585 -1.1931 11 17 0.94 1.00 0.42 0.50 Reject —
3 Z19352754
T12
 0 -35.712 5.1536 -1.2270 13 16 1.00 1.00 0.50 0.40 Weak SAFE
GDS₃ 0.422
P=64%
4 Z1557399790
T12
 0 -38.996 5.2996 -0.9752 16 21 0.68 0.94 0.42 0.50 Reject —
5 KB_chagas_219
T12
 0 -27.516 1.3004 -0.9682 8 18 0.79 0.94 0.50 0.60 Reject —

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