Complexes after comparative docking

Receptor: model based on 4AN1 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
2P8_A_2 0.000 5.4 0.81 100.0 (2S)-N-BENZYL-2-({(2S)-2-[(1R)-1,2-DIHYDROXYETHYL]PYRROLIDIN-1-YL}CARBONYL)PYRROLIDINE-1-CARBOXAMIDE 4AN1 Raw