Complexes after comparative docking

Receptor: model based on 3OBB 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
EPE_A_6 0.000 2.5 0.57 57.1 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID 3OBB Raw