Complexes after comparative docking

Receptor: model based on 4IB5 chain:C
& 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
GOL_C_17 0.000 2.0 0.59 0.0 GLYCEROL 4IB5 Raw
GOL_C_16 0.000 1.7 0.75 0.0 GLYCEROL 4IB5 Raw