Complexes after comparative docking

Receptor: model based on 3QRI 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
919_A_5 0.000 10.8 0.73 59.5 4-[4-({[3-TERT-BUTYL-1-(QUINOLIN-6-YL)-1H-PYRAZOL-5-YL]CARBAMOYL}AMINO)-3-FLUOROPHENOXY]-N-METHYLPYRIDINE-2-CARBOXAMIDE 3QRI Raw