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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
429 ligands default: one best pose per compound ★ Native available
T. brucei ODC · T13
T. brucei PDB 1F3T
Protein: Ornithine decarboxylase
Binding site: Active site
# Compound Alt poses Score ▲ Final rank Inter norm H-bonds Contacts Jaccard Contact recall HB recall HB role recall Assessment ↕ GDS
1 Z104483552
T13
 0 -27.172 4.0074 -1.2533 12 20 0.77 0.89 0.67 0.71 Weak —
2 Z220564900
T13
 0 -31.236 4.1883 -1.2194 10 17 0.64 0.74 0.56 0.57 Weak —
3 MK170
T13
 0 -31.145 3.1795 -0.9957 9 14 0.65 0.68 0.67 0.71 Weak —
4 ulfkktlib_2379
T13
 0 -30.017 4.3043 -1.2211 11 19 0.58 0.74 0.56 0.57 Reject UNSAFE
GDS₃ 0.631
P=41%
5 Z49597823
T13
 0 -22.393 5.7926 -0.7112 8 22 0.64 0.84 0.44 0.57 Reject —

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