Complexes after comparative docking

Receptor: model based on 4EHG 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
RI9_B_4 0.000 8.7 0.89 66.9 N-{2,4-DIFLUORO-3-[({6-[(2-HYDROXYETHYL)AMINO]PYRIMIDIN-4-YL}CARBAMOYL)AMINO]PHENYL}PROPANE-1-SULFONAMIDE 4EHG Raw