Complexes after comparative docking

Receptor: model based on 4FE2 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
ADP_B_12 0.000 5.9 0.76 0.9 ADENOSINE-5 -DIPHOSPHATE 4FE2 Raw