Complexes after comparative docking

Receptor: model based on 4FW7 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
L63_A_6 0.000 5.5 0.72 90.4 N-[(2S,3R)-3-HYDROXY-1-(HYDROXYAMINO)-1-OXOBUTAN-2-YL]BIPHENYL-4-CARBOXAMIDE 4FW7 Raw
GOL_A_8 0.000 2.4 0.59 0.0 GLYCEROL 4FW7 Raw