Complexes after comparative docking

Receptor: model based on 1N2O 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
BAL_F_6 0.000 3.3 0.32 11.1 BETA-ALANINE 1N2O Raw