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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
626 ligands default: one best pose per compound ★ Native available
T. brucei DHFR · T06
T. brucei PDB 8RHT
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 KB_HAT_152
T06
 0 -17.368 1.9379 -0.6905 1 17 0.58 0.67 0.00 0.00 Reject —
2 Z21500835
T06
 0 -23.984 0.3699 -0.8698 0 20 0.71 0.81 0.00 0.00 Reject —
3 TC46
T06
 0 -25.231 -0.1131 -1.0006 2 17 0.58 0.67 0.00 0.00 Reject —
4 GemmaOHDUnisi_18
T06
 0 -22.422 0.2801 -0.9180 4 18 0.70 0.76 0.20 0.25 Reject —
5 OHD_ACDS_74
T06
 0 -12.975 1.6990 -0.7643 4 18 0.62 0.71 0.00 0.00 Reject —

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