Complexes after comparative docking

Receptor: model based on 4GVG 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_3 0.000 1.9 0.48 19.8 2-(N-MORPHOLINO)-ETHANESULFONIC ACID 4GVG Raw