FAIRMol Sign in

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
643 ligands default: one best pose per compound ★ Native available
T. brucei PTR1 · T08
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 Z1157834224
T08
 0 -26.974 1.0853 -1.1578 5 17 0.57 0.68 0.33 0.20 Reject —
2 NMT-TY0950
T08
 0 -30.387 0.5896 -1.1362 8 14 0.74 0.74 0.33 0.40 Reject —
3 OHD_Leishmania_380
T08
 0 -31.847 2.0375 -0.8169 6 16 0.46 0.58 0.17 0.40 Weak —
4 Z19222909
T08
 0 -29.856 0.9227 -0.9888 3 18 0.61 0.74 0.17 0.20 Weak —
5 OHD_TB2021_104
T08
 0 -30.294 1.1413 -1.4465 5 17 0.64 0.74 0.50 0.40 Weak —

Kliknite na stolpec za podroben pregled spojin · Kliknite ⤢ za razširjen pogled z izborom spojin.