Complexes after comparative docking

Receptor: model based on 3V51 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
I76_A_2 0.000 4.7 0.49 56.5 3-{6-[(3-CHLOROBENZYL)OXY]NAPHTHALEN-2-YL}-1-(PROPAN-2-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE 3V51 Raw