Complexes after comparative docking

Receptor: model based on 4UP7 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
LAD_A_2 0.000 7.6 1 99.2 ADENOSINE-5 -[LYSYL-PHOSPHATE] 4UP7 Raw