Complexes after comparative docking

Receptor: model based on 4BBF chain:C
& 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
O19_C_7 0.000 8.1 0.52 75.8 (2R)-N-[4-[2-[(4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL]PHENYL]PYRROLIDINE-2-CARBOXAMIDE 4BBF Raw