Complexes after comparative docking

Receptor: model based on 4Q8O 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
CKR_A_7 0.000 5.9 0.77 92.7 6-AMINO-2-[(2-MORPHOLIN-4-YLETHYL)AMINO]-3,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE 4Q8O Raw