Complexes after comparative docking

Receptor: model based on 3PIZ 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
03C_A_2 0.000 7.0 0.55 72.0 [5-AMINO-1-(2-METHYLPHENYL)-1H-PYRAZOL-4-YL]{3-[1-(METHYLSULFONYL)PIPERIDIN-4-YL]PHENYL}METHANONE 3PIZ Raw