Complexes after comparative docking

Receptor: model based on 3V80 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
AOC_A_3 0.000 4.5 0.6 65.1 5 -O-PROP-2-YN-1-YLADENOSINE 3V80 Raw