Complexes after comparative docking

Receptor: model based on 4U71 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
Q03_A_6 0.000 2.0 0.55 78.5 [(R)-amino(cyclohexyl)methyl]phosphonic acid 4U71 Raw