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Docking experiments

All docking campaigns in the active database.

DB demo
Ligand priority Compounds Protein structures
L. major PTR1 L. major
T04 · 11 poses · 11 compounds
receptor_for_pose_view.pdb
Results Priority Target report Chemo analysis ADMET
L. major PTR1 L. major
T05 · 20 poses · 20 compounds
receptor_for_pose_view.pdb
Results Priority Target report Chemo analysis ADMET
L. infantum SIR2 L. infantum
T11 · 14 poses · 14 compounds
receptor_for_pose_view.pdb
Results Priority Target report Chemo analysis ADMET
T. brucei R5P T. brucei
T12 · 18 poses · 18 compounds
receptor_for_pose_view.pdb
Results Priority Target report Chemo analysis ADMET
T. brucei TR (Doorstop site) T. brucei
T17 · 19 poses · 19 compounds
receptor_for_pose_view.pdb
Results Priority Target report Chemo analysis ADMET
T. brucei TR (Mepacrine binding site (MBS, site 1)) T. brucei
T18 · 12 poses · 12 compounds
receptor_for_pose_view.pdb
Results Priority Target report Chemo analysis ADMET
T. brucei TR (NADPH binding site) T. brucei
T19 · 10 poses · 10 compounds
receptor_for_pose_view.pdb
Results Priority Target report Chemo analysis ADMET
T. brucei TR (Z-site (fragment hotspot)) T. brucei
T20 · 13 poses · 13 compounds
receptor_for_pose_view.pdb
Results Priority Target report Chemo analysis ADMET
T. cruzi R5P T. cruzi
T21 · 17 poses · 17 compounds
receptor_for_pose_view.pdb
Results Priority Target report Chemo analysis ADMET
L. donovani rab5a L. donovani
T22 · 13 poses · 13 compounds
receptor_for_pose_view.pdb
Results Priority Target report Chemo analysis ADMET