Complexes after comparative docking

Receptor: model based on 3R7Y 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
Z04_A_3 0.000 5.4 0.75 59.3 2-{[(2-AMINOPYRIMIDIN-5-YL)METHYL]AMINO}-4-(MORPHOLIN-4-YL)-5-NITROBENZAMIDE 3R7Y Raw