Complexes after comparative docking

Receptor: model based on 4G3F 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
0WB_A_2 0.000 7.3 0.56 47.4 3-{2-[(5-FLUORO-2-HYDROXYPHENYL)AMINO]-1,3-THIAZOL-4-YL}BENZONITRILE 4G3F Raw