@TOME2 : Inverse Screening by homology:

EDCdb.mol2 - [param]

Each ligand was docked into several models of each receptor. Two main information are presented here: Calculated affinity (pKd) and homology to the docking observed in the PDB for the same family complexes.
Caution! The pKd calculated is an approximation and may depend on the size of the ligand. It is calculated with ligand into the bindind site and does not take into account the insertion step into the pocket (possibility of false positives)

Click on pKd for more details on the different complexes and to visualize the favorite docking modes.
Click on the receptors to see how they were modeled.
Tab legend :
    Many complexes were calculated. Only the best is selected here:

    Value = ‹ pKd ›: Calculated affinity for the selected complex : [ ‹nMol | ‹μMol | ‹mMol ]

    Cells background color: Deviation from the profile of homologous contacts ligand/receptor observed in the PDB [ Good | Correct | Uncertain | Dubius ]