Complexes after comparative docking

Receptor: model based on 1N2H 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
EOH_B_11 0.000 2.4 0.34 26.3 ETHANOL 1N2H Raw
PAJ_B_8 0.000 9.5 0.95 95.4 PANTOYL ADENYLATE 1N2H Raw