Complexes after comparative docking

Receptor: model based on 2D4W 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_D_4 0.000 3.2 0.42 2.9 (4S)-2-METHYL-2,4-PENTANEDIOL 2D4W Raw