Complexes after comparative docking

Receptor: model based on 4HLU 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_5 0.000 3.2 0.57 88.3 ADENOSINE-5 -DIPHOSPHATE 4HLU Raw