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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
623 ligands default: one best pose per compound ★ Native available
L. major PTR1 · T05
L. major PDB 7PXX
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 OHD_TB2020_60
T05
 0 -27.331 0.3482 -1.2658 8 13 0.58 0.65 0.43 0.50 Weak —
2 NMT-TY0412
T05
 0 -28.079 1.1539 -1.4758 4 15 0.68 0.76 0.14 0.17 Weak —
3 Z56851176
T05
 0 -27.985 1.7657 -1.1117 5 10 0.59 0.59 0.29 0.33 Weak SAFE
GDS₃ 0.457
P=66%
4 TC235
T05
 0 -27.468 1.1343 -1.0788 10 13 0.58 0.65 0.57 0.67 Reject —
5 Z19777521
T05
 0 -24.778 2.4207 -1.2825 4 13 0.58 0.65 0.29 0.33 Weak UNSAFE
GDS₃ 0.379
P=32%

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