Complexes after comparative docking

Receptor: model based on 4HLU chain:C
& 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_C_11 0.000 6.2 0.74 94.2 ADENOSINE-5 -DIPHOSPHATE 4HLU Raw