Complexes after comparative docking

Receptor: model based on 4IU6 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
FZ1_A_6 0.000 4.8 0.45 46.8 4-[4-(4-METHOXYPHENYL)PIPERAZIN-1-YL]-2-(PYRIDIN-2-YL)QUINAZOLINE 4IU6 Raw