Complexes after comparative docking

Receptor: model based on 3TZ7 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
AQB_B_4 0.000 9.7 0.7 86.8 N-(4-{[4-({[1-(3-AMINOPHENYL)-3-TERT-BUTYL-1H-PYRAZOL-5-YL]CARBAMOYL}AMINO)PHENYL]AMINO}QUINAZOLIN-6-YL)-4-(DIMETHYLAMINO)BUTANAMIDE 3TZ7 Raw