Complexes after comparative docking

Receptor: model based on 1BHF 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
CHAIN_I_2 0.000 5.3 0.46 44.0 INHIBITOR ACE-IPA-GLU-GLU-ILE 1BHF Raw
ACE_I_3 Error Error nan 0.0 ACETYL GROUP 1BHF Raw