Complexes after comparative docking

Receptor: model based on 1NJW 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
SUC_A_5 0.000 3.3 0.61 36.4 SUGAR (SUCROSE) 1NJW Raw