Complexes after comparative docking

Receptor: model based on 2H72 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
MPD_A_3 0.000 3.0 0.28 0.0 (4S)-2-METHYL-2,4-PENTANEDIOL 2H72 Raw