Complexes after comparative docking

Receptor: model based on 3PRI 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
FP4_A_3 0.000 7.5 0.78 69.2 3-(4-{[2-(PYRIMIDIN-2-YL)FURO[2,3-C]PYRIDIN-3-YL]AMINO}-1H-INDAZOL-3-YL)PROPAN-1-OL 3PRI Raw