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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
619 ligands default: one best pose per compound ★ Native available
T. brucei PTR1 · T07
T. brucei PDB 6RX6
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 Z29007297
T07
 0 -34.888 3.6794 -1.1735 8 19 0.65 0.79 0.33 0.60 Weak —
2 TC283
T07
 0 -29.994 1.7275 -1.6324 6 14 0.43 0.53 0.50 0.60 Weak —
3 NMT-TY0822
T07
 0 -29.074 1.0228 -1.6322 10 13 0.60 0.63 0.83 0.80 Weak —
4 Z28173957
T07
 0 -25.584 0.8470 -1.1452 3 17 0.44 0.58 0.00 0.00 Reject —
5 Z49613256
T07
 0 -32.490 0.0679 -1.3712 6 16 0.52 0.63 0.50 0.40 Reject —

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