Complexes after comparative docking

Receptor: model based on 1KQ3 chain:A
& Ligands found in homologous templates


Theoretical pKd : [ ‹nMol | ‹μMol | ‹mMol | ›mMol] - Values:

Score for Scwrl (Unconserved side chains of binding site are recalculated) model :

Result RMS (ca) pKd Avg. Q PSim Ligand Name : Origin Transfer
TRS_A_4 0.000 3.1 0.59 100.0 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL 1KQ3 Raw