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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
640 ligands default: one best pose per compound ★ Native available
L. major DHFR-TS · T09
L. major
Protein: DHFR-thymidylate synthase (bifunctional)
# Compound Alt poses Score ▲ Final rank Inter norm H-bonds Contacts Jaccard Contact recall HB recall HB role recall Assessment ↕ GDS
1 KB_Leish_187
T09
 0 -22.441 1.1269 -1.0784 6 16 0.48 0.57 0.00 0.17 Reject —
2 ulfkktlib_976
T09
 0 -25.097 0.1924 -1.1506 1 17 0.58 0.67 0.14 0.17 Weak —
3 Z19650505
T09
 0 -25.373 1.6961 -1.1206 3 16 0.54 0.62 0.14 0.17 Weak —
4 Z56940509
T09
 0 -28.069 2.9779 -1.0269 5 14 0.40 0.48 0.00 0.00 Weak —
5 Z56815608
T09
 0 -28.765 2.4179 -1.0263 7 18 0.44 0.57 0.00 0.17 Reject —
Rows 1–5 of 5 5 of 650 poses fetched (best by score; raise with &limit=)

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