Complexes after comparative docking

Receptor: model based on 2BZH 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
HB1_B_2 0.000 8.6 0.58 75.8 RUTHENIUM-PYRIDOCARBAZOLE-1 2BZH Raw