Complexes after comparative docking

Receptor: model based on 4EAQ 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
ATM_B_4 0.000 5.8 0.83 60.3 3 -AZIDO-3 -DEOXYTHYMIDINE-5 -MONOPHOSPHATE 4EAQ Raw