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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
653 ligands default: one best pose per compound ★ Native available
T. brucei TR · T18
T. brucei PDB 6RB5
Protein: Trypanothione reductase
Binding site: Mepacrine binding site (MBS, site 1)
# Compound Alt poses Score ▲ Final rank Inter norm H-bonds Contacts Jaccard Contact recall HB recall HB role recall Assessment ↕ GDS
1 Z19650505
T18
 0 -18.442 1.2498 -0.9347 3 12 0.39 0.54 - - Weak —
2 OHD_Leishmania_238
T18
 0 -19.829 2.8398 -0.6465 5 15 0.75 0.92 - - Weak —
3 CKP-54
T18
 0 -14.094 1.6449 -0.8931 2 13 0.37 0.54 - - Weak —
4 Z19316194
T18
 0 -23.470 2.8705 -0.8993 5 12 0.56 0.69 - - Weak —
5 Z57392960
T18
 0 -30.004 1.6565 -0.8282 5 14 0.50 0.69 - - Weak —

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