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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
605 ligands default: one best pose per compound ★ Native available
L. major PTR1 · T04
L. major PDB 7PXX
Protein: Pteridine reductase 1
# Compound Alt poses Score ▲ Final rank Inter norm H-bonds Contacts Jaccard Contact recall HB recall HB role recall Assessment ↕ GDS
1 Z45956789
T04
 0 -22.267 0.2709 -1.2930 1 10 0.53 0.53 0.17 0.20 Weak —
2 OHD_Leishmania_162
T04
 0 -25.851 -0.2402 -1.6884 5 12 0.63 0.63 0.33 0.40 Weak —
3 Z44844875
T04
 0 -15.225 1.3105 -0.7922 5 15 0.42 0.53 0.17 0.20 Weak —
4 OHD_Leishmania_454
T04
 0 -23.776 2.3171 -0.9226 2 9 0.47 0.47 0.17 0.20 Weak —
5 ulfkktlib_1127
T04
 1
2 total
 -20.472 0.9837 -0.9810 4 14 0.74 0.74 0.17 0.40 Reject —

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