Complexes after comparative docking

Receptor: model based on 3N84 chain:E
& 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
CHAIN_K_11 0.000 8.5 0.58 13.8 23-membered peptide-like macrocyclic ligand 3N84 Raw
GOL_K_22 Error Error nan 0.0 GLYCEROL 3N84 Raw