Complexes after comparative docking

Receptor: model based on 5AAG 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
6F2_A_2 0.000 9.1 0.7 76.4 [3-[[4-[6-CHLORANYL-2-(1,3-DIMETHYLPYRAZOL-4-YL)-3H-IMIDAZO[4,5-B]PYRIDIN-7-YL]PYRAZOL-1-YL]METHYL]PHENYL]-(4-METHYLPIPERAZIN-1-YL)METHANONE 5AAG Raw