Complexes after comparative docking

Receptor: model based on 4BBE 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
3O4_B_6 0.000 7.0 0.54 67.8 N-[4-[2-[(4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL]PHENYL]ETHANAMIDE 4BBE Raw