Complexes after comparative docking

Receptor: model based on 2QLQ chain:B
& 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
SR2_B_5 0.000 2.6 0.47 56.1 (2E)-N-{4-[(3-BROMOPHENYL)AMINO]QUINAZOLIN-6-YL}-4-(DIMETHYLAMINO)BUT-2-ENAMIDE 2QLQ Raw