Complexes after comparative docking

Receptor: model based on 3NUA 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
ADP_A_3 0.000 8.2 0.86 0.9 ADENOSINE-5 -DIPHOSPHATE 3NUA Raw