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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
598 ligands default: one best pose per compound ★ Native available
T. brucei TR · T19
T. brucei PDB 2WOV
Protein: Trypanothione reductase
Binding site: NADPH binding site
# Compound Alt poses Score ▲ Final rank Inter norm H-bonds Contacts Jaccard Contact recall HB recall HB role recall Assessment ↕ GDS
1 ulfkktlib_1990
T19
 0 -27.367 1.8394 -1.4172 7 19 0.21 0.30 0.08 0.20 Weak —
2 Z56793358
T19
 0 -30.474 2.1710 -1.4140 4 19 0.18 0.26 0.00 0.00 Weak —
3 Z31287542
T19
 0 -33.993 2.3927 -0.9446 6 19 0.18 0.26 0.08 0.20 Reject —
4 OHD_Babesia_29
T19
 0 -31.799 1.9318 -1.0757 4 20 0.17 0.26 0.08 0.20 Reject —
5 Z27691153
T19
 0 -31.788 2.6942 -1.4346 5 18 0.18 0.26 0.00 0.00 Weak —

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