Complexes after comparative docking

Receptor: model based on 3QBC 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
B55_A_3 0.000 3.5 0.73 91.7 2-AMINO-8-SULFANYL-1,9-DIHYDRO-6H-PURIN-6-ONE 3QBC Raw