Complexes after comparative docking

Receptor: model based on 3HEM chain:A
& 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
D22_A_2 0.000 6.0 0.46 98.1 N-OCTYLOCTAN-1-AMINE 3HEM Raw