Complexes after comparative docking

Receptor: model based on 3N8M 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
CHAIN_B_2 0.000 7.6 0.35 13.7 PEPTIDE 3N8M Raw
GOL_B_3 0.000 2.7 0.33 0.0 GLYCEROL 3N8M Raw