Complexes after comparative docking

Receptor: model based on 3VFL 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
MES_A_8 0.000 2.4 0.6 62.2 2-(N-MORPHOLINO)-ETHANESULFONIC ACID 3VFL Raw
GOL_A_5 0.000 3.6 0.59 0.0 GLYCEROL 3VFL Raw