Complexes after comparative docking

Receptor: model based on 4DJX 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
0KQ_B_5 0.000 6.4 0.78 80.8 (2E,5R)-5-[3-(5-CHLOROPYRIDIN-3-YL)PHENYL]-5-CYCLOPROPYL-2-IMINO-3-METHYLIMIDAZOLIDIN-4-ONE 4DJX Raw