Complexes after comparative docking

Receptor: model based on 4BGG chain:C
& 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
844_C_14 0.000 7.0 0.51 85.8 1-{4-[5-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-3-YL]PHENYL}PIPERAZINE 4BGG Raw