Complexes after comparative docking

Receptor: model based on 5AM2 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
KUF_A_7 0.000 3.3 0.33 16.5 7-METHYL-2H-ISOQUINOLIN-1-ONE 5AM2 Raw
KUF_A_6 0.000 3.9 0.34 38.1 7-METHYL-2H-ISOQUINOLIN-1-ONE 5AM2 Raw