Complexes after comparative docking

Receptor: model based on 3U2D 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
08B_A_3 0.000 5.6 0.47 80.6 4-BROMO-5-METHYL-N-[1-(3-NITROPYRIDIN-2-YL)PIPERIDIN-4-YL]-1H-PYRROLE-2-CARBOXAMIDE 3U2D Raw