FAIRMol Sign in

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 demo
13 ligands default: one best pose per compound
L. donovani rab5a · T22
L. donovani
Protein: Rab5a GTPase
# Compound Alt poses Score ▲ Final rank Inter norm H-bonds Contacts Assessment ↕ GDS
1 Z30002984
T22
0 -29.769 4.4571 -0.8931 10 24 Weak
2 Z79567126
T22
0 -30.181 4.8260 -0.9761 9 23 Weak
3 Z56832742
T22
0 -30.583 2.3607 -1.2469 10 21 Reject
4 KB_HAT_22
T22
0 -30.000 2.4174 -1.1963 9 19 Promising
5 OHD_TC1_194
T22
0 -33.839 5.8104 -0.8286 9 20 Reject SAFE
GDS₃ 0.443
P=76%

Kliknite na stolpec za podroben pregled spojin · Kliknite za razširjen pogled z izborom spojin.