Complexes after comparative docking

Receptor: model based on 3UQI 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
MPO_A_2 0.000 2.5 0.5 60.0 3[N-MORPHOLINO]PROPANE SULFONIC ACID 3UQI Raw