Complexes after comparative docking

Receptor: model based on 3GXL 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
QIG_A_2 0.000 8.1 0.71 95.1 N-1H-INDAZOL-5-YL-2-(6-METHYLPYRIDIN-2-YL)QUINAZOLIN-4-AMINE 3GXL Raw