Complexes after comparative docking

Receptor: model based on 3IGG 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
EFQ_A_2 0.000 3.9 0.5 25.9 N-[1-(CIS-3-HYDROXYCYCLOBUTYL)-1H-IMIDAZOL-4-YL]-2-(4-METHOXYPHENYL)ACETAMIDE 3IGG Raw