Complexes after comparative docking

Receptor: model based on 3T2J chain:E
& 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
BET_E_15 0.000 2.4 0.39 24.1 TRIMETHYL GLYCINE 3T2J Raw
BET_E_16 0.000 2.1 0.55 75.9 TRIMETHYL GLYCINE 3T2J Raw