Complexes after comparative docking

Receptor: model based on 3C4E 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
C4E_A_6 0.000 5.3 0.55 58.4 N-PHENYL-1H-PYRROLO[2,3-B]PYRIDIN-3-AMINE 3C4E Raw