Complexes after comparative docking

Receptor: model based on 1VAI chain:B
& 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
ACE_C_4 0.000 3.1 0.38 100.0 ACETYL GROUP 1VAI Raw
CHAIN_C_3 0.000 6.2 0.42 33.3 (ACE)AAPA(MCM) 1VAI Raw