Complexes after comparative docking

Receptor: model based on 3RDA chain:X
& 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
MIO_X_3 0.000 2.7 0.41 66.7 3-METHYL-1,2-OXAZOL-5-AMINE 3RDA Raw
MIO_X_5 0.000 2.6 0.3 2.6 3-METHYL-1,2-OXAZOL-5-AMINE 3RDA Raw