Complexes after comparative docking

Receptor: model based on 1VEY chain:B
& 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_B_6 0.000 3.4 0.64 71.7 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID 1VEY Raw