Complexes after comparative docking

Receptor: model based on 2Y4D 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
PG4_A_10 0.000 2.2 0.48 58.9 TETRAETHYLENE GLYCOL 2Y4D Raw