Complexes after comparative docking

Receptor: model based on 3PRF 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
FP3_A_3 0.000 8.3 0.67 66.3 2-CHLORO-5-{[2-(PYRIMIDIN-2-YL)FURO[2,3-C]PYRIDIN-3-YL]AMINO}PHENOL 3PRF Raw