Complexes after comparative docking

Receptor: model based on 3FV5 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
1EU_A_3 0.000 5.9 0.53 80.4 1-(4-ACETYL-6-PYRIDIN-3-YL-1H-BENZIMIDAZOL-2-YL)-3-ETHYLUREA 3FV5 Raw