Complexes after comparative docking

Receptor: model based on 3O84 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
HTJ_B_8 0.000 7.7 0.62 81.2 6-PHENYL-1-(PYRIDIN-4-YLMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID 3O84 Raw