Complexes after comparative docking

Receptor: model based on 4HEE chain:X
& 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
14R_X_3 0.000 11.7 0.77 67.9 5-BENZYL-2-ETHYL-3-{(1S)-5-[2-(1H-TETRAZOL-5-YL)PHENYL]-2,3-DIHYDRO-1H-INDEN-1-YL}-3,5-DIHYDRO-4H-IMIDAZO[4,5-C]PYRIDIN-4-ONE 4HEE Raw