Complexes after comparative docking

Receptor: model based on 4ONA 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
UW1_A_2 0.000 4.0 0.55 63.8 5-AMINO-1-TERT-BUTYL-3-(7-ETHOXYQUINOLIN-3-YL)-1H-PYRAZOLE-4-CARBOXAMIDE 4ONA Raw