Complexes after comparative docking

Receptor: model based on 3NG1 chain:B
& 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
EDO_B_14 0.000 3.7 0.48 4.2 1,2-ETHANEDIOL 3NG1 Raw
EDO_B_13 0.000 3.5 0.46 32.1 1,2-ETHANEDIOL 3NG1 Raw