Complexes after comparative docking

Receptor: model based on 3HXU 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
A5A_A_2 0.000 8.8 1 97.3 5 -O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE 3HXU Raw