Complexes after comparative docking

Receptor: model based on 3VSP 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
EK8_A_3 0.000 10.8 0.78 81.9 (2R)-2-BENZYL-3-[3-({[4-(PIPERIDIN-1-YL)BENZOYL]AMINO}METHYL)-4-PROPOXYPHENYL]PROPANOIC ACID 3VSP Raw