Complexes after comparative docking

Receptor: model based on 3IG7 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
EFP_A_2 0.000 4.0 0.4 26.9 N-{1-[CIS-3-(ACETYLAMINO)CYCLOBUTYL]-1H-IMIDAZOL-4-YL}-2-(4-METHOXYPHENYL)ACETAMIDE 3IG7 Raw