Complexes after comparative docking

Receptor: model based on 4W7T 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
3JC_A_2 0.000 4.6 0.44 88.5 (7S)-2-amino-4-methyl-7-phenyl-7,8-dihydroquinazolin-5(6H)-one 4W7T Raw