Complexes after comparative docking

Receptor: model based on 1FXJ 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_M_13 0.000 2.8 0.49 57.0 2-(N-MORPHOLINO)-ETHANESULFONIC ACID 1FXJ Raw