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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
662 ligands default: one best pose per compound ★ Native available
Human DHFR · T01
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 Z31243438
T01
 0 -28.807 0.6689 -1.3719 3 16 0.54 0.62 0.00 0.00 Promising SAFE
GDS₃ 0.458
P=54%
2 TC491
T01
 0 -23.034 3.2272 -0.8161 7 22 0.72 0.86 0.60 0.60 Reject —
3 Z27728832
T01
 1
2 total
 -27.187 1.9519 -1.0814 4 14 0.40 0.48 0.00 0.00 Reject —
4 NMT-TY0611
T01
 0 -27.373 2.5114 -0.9584 6 15 0.44 0.52 0.00 0.20 Reject —
5 Z1939360435
T01
 0 -20.598 4.0850 -0.8539 3 18 0.56 0.67 0.20 0.40 Reject —

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