Complexes after comparative docking

Receptor: model based on 4AMI 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
2CV_B_5 0.000 2.0 0.23 55.9 HEGA-10 4AMI Raw