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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
646 ligands default: one best pose per compound ★ Native available
Human DHFR · T02
Human PDB 5SD8
Protein: Dihydrofolate reductase
# Compound Alt poses Score ▲ Final rank Inter norm H-bonds Contacts Jaccard Contact recall HB recall HB role recall Assessment ↕ GDS
1 NMT-TY0558
T02
 0 -24.046 0.2240 -1.1027 4 18 0.77 0.81 0.00 0.00 Weak —
2 KB_HAT_152
T02
 0 -33.001 2.4990 -1.0785 4 17 0.52 0.62 0.20 0.20 Weak —
3 OSA_Lib_198
T02
 0 -24.964 3.6024 -0.8726 3 19 0.60 0.71 0.00 0.00 Reject —
4 KB_Leish_74
T02
 0 -30.959 2.5105 -0.9224 5 17 0.52 0.62 0.00 0.20 Reject —
5 Z26504319
T02
 0 -21.936 3.0219 -0.7853 5 19 0.67 0.76 0.20 0.20 Reject —

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