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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
584 ligands default: one best pose per compound ★ Native available
L. infantum R5P · T10
L. infantum
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 NMT-TY0430
T10
 0 -26.135 3.7208 -1.0819 9 18 0.94 1.00 0.46 0.36 Reject —
2 MK7
T10
 0 -23.933 5.4235 -1.1047 14 18 0.94 1.00 0.46 0.55 Weak —
3 TC419
T10
 0 -32.878 3.8668 -0.7741 10 17 0.89 0.94 0.38 0.36 Reject —
4 Z19223273
T10
 0 -24.413 2.5258 -0.9232 10 15 0.78 0.82 0.54 0.45 Weak UNSAFE
GDS₃ 0.387
P=22%
5 Z14006601
T10
 0 -24.954 3.0024 -1.0938 8 14 0.82 0.82 0.46 0.36 Weak UNSAFE
GDS₃ 0.425
P=17%

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