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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
654 ligands default: one best pose per compound ★ Native available
L. infantum SIR2 · T11
L. infantum
Protein: Sirtuin 2 (NAD-dependent deacetylase)
# Compound Alt poses Score ▲ Final rank Inter norm H-bonds Contacts Jaccard Contact recall HB recall HB role recall Assessment ↕ GDS
1 OHD_Leishmania_101
T11
 0 -18.381 1.0974 -0.7539 1 18 0.50 0.67 0.00 0.00 Weak —
2 OHD_TB2022_22
T11
 0 -19.951 4.0925 -0.8591 4 16 0.79 0.83 0.20 0.40 Weak —
3 Z56071560
T11
 0 -23.452 5.0140 -0.7348 5 15 0.74 0.78 0.60 0.60 Reject —
4 OSA_Lib_394
T11
 0 -24.805 2.0983 -0.8317 3 15 0.32 0.44 0.00 0.00 Weak —
5 ulfkktlib_1636
T11
 0 -23.439 0.8525 -0.7160 1 18 0.38 0.56 0.00 0.00 Weak —

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