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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
1620 ligands default: one best pose per compound
# Compound Alt poses Score ▲ Final rank Inter norm H-bonds Contacts Assessment ↕ GDS
1 OHD_TbNat_123
T21
0 -24.209 0.5931 -0.8055 5 16 Weak —
2 TC218
T21
1
2 total
-27.717 0.1530 -1.0204 5 15 Weak —
3 Z2298067197
T21
0 -22.583 0.7254 -1.6455 11 17 Reject —
4 Z1198149433
T21
0 -24.470 0.5625 -2.1004 9 12 Promising —
5 Z1521553721
T21
0 -24.793 0.3582 -1.1459 6 14 Weak —
6 ulfkktlib_186
T22
0 -27.434 0.4453 -1.0864 9 26 Reject —
7 RAB5A
T22
0 - - - 16 21 Reject —
8 OSA_Lib_26
T22
0 -29.308 0.8268 -0.9676 5 18 Weak —
9 OSA_Lib_68
T22
0 -29.502 1.0097 -1.0091 5 19 Reject —
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