Complexes after comparative docking

Receptor: model based on 3T9T 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
GOL_A_3 0.000 2.9 0.66 0.0 GLYCEROL 3T9T Raw
IAQ_A_2 0.000 6.1 0.58 83.7 (2Z)-4-(DIMETHYLAMINO)-N-{7-FLUORO-4-[(2-METHYLPHENYL)AMINO]IMIDAZO[1,5-A]QUINOXALIN-8-YL}-N-METHYLBUT-2-ENAMIDE 3T9T Raw