Complexes after comparative docking

Receptor: model based on 4CWB 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
X6L_A_6 0.000 5.9 0.7 81.9 2-AMINO-8-[2-OXO-2-(4-PHENYLPHENYL)ETHYL]SULFANYL-1,9-DIHYDROPURIN-6-ONE 4CWB Raw