Complexes after comparative docking

Receptor: model based on 3H24 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
B55_B_9 0.000 4.3 0.63 86.4 2-AMINO-8-SULFANYL-1,9-DIHYDRO-6H-PURIN-6-ONE 3H24 Raw