Complexes after comparative docking

Receptor: model based on 4HCU 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
13L_A_2 0.000 9.4 0.54 53.9 3-{4-AMINO-1-[(3R)-1-PROPANOYLPIPERIDIN-3-YL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-N-[4-(PROPAN-2-YL)PHENYL]BENZAMIDE 4HCU Raw