Complexes after comparative docking

Receptor: model based on 4AMZ 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
2P4_A_2 0.000 4.7 0.82 100.0 (5R)-N-BENZYL-5-({(2S)-2-[(1R)-1,2-DIHYDROXYETHYL]PYRROLIDIN-1-YL}CARBONYL)CYCLOPENT-1-ENE-1-CARBOXAMIDE 4AMZ Raw