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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
616 ligands default: one best pose per compound ★ Native available
T. brucei ODC · T14
T. brucei PDB 1NJJ
Protein: Ornithine decarboxylase
Binding site: G418 binding site
# Compound Alt poses Score ▲ Final rank Inter norm H-bonds Contacts Jaccard Contact recall HB recall HB role recall Assessment ↕ GDS
1 Z1213668957
T14
 0 -22.853 1.0110 -0.8197 5 13 0.40 0.53 0.33 0.40 Weak —
2 Z56175938
T14
 0 -22.825 2.7376 -0.9001 6 12 0.35 0.47 0.17 0.20 Weak —
3 Z56765335
T14
 0 -21.900 2.8966 -0.8131 4 13 0.33 0.47 0.17 0.20 Weak —
4 OHD_Leishmania_193
T14
 0 -24.101 4.6707 -0.9951 10 12 0.42 0.53 0.33 0.60 Weak —
5 Z49894309
T14
 0 -24.959 4.1861 -1.1032 7 13 0.40 0.53 0.17 0.40 Weak —

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