Complexes after comparative docking

Receptor: model based on 4AMY 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
2P2_A_2 0.000 5.9 0.8 96.5 1-[(2R,5S)-2-TERT-BUTYL-5-({(2S)-2-[(1R)-1,2-DIHYDROXYETHYL]PYRROLIDIN-1-YL}CARBONYL)PYRROLIDIN-1-YL]-4-PHENYLBUTAN-1-ONE 4AMY Raw