Complexes after comparative docking

Receptor: model based on 3C4C 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
324_A_3 0.000 8.2 0.79 45.4 N-{3-[(5-CHLORO-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)CARBONYL]-2,4-DIFLUOROPHENYL}PROPANE-1-SULFONAMIDE 3C4C Raw