Complexes after comparative docking

Receptor: model based on 3TZ9 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
AQU_A_3 0.000 10.2 0.79 55.8 1-[1-(3-AMINOPHENYL)-3-TERT-BUTYL-1H-PYRAZOL-5-YL]-3-[4-(QUINAZOLIN-4-YLAMINO)PHENYL]UREA 3TZ9 Raw