Complexes after comparative docking

Receptor: model based on 2ZBT chain:D
& 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_D_6 0.000 2.8 0.51 90.6 (4S)-2-METHYL-2,4-PENTANEDIOL 2ZBT Raw