Complexes after comparative docking

Receptor: model based on 3GUB 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
GUB_A_2 0.000 5.1 0.66 76.0 9-ALPHA-L-LYXOFURANOSYL-N-(2-PHENYLETHYL)-9H-PURIN-6-AMINE 3GUB Raw