Complexes after comparative docking

Receptor: model based on 2G6P 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_7 0.000 1.2 0.38 5.1 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID 2G6P Raw