Complexes after comparative docking

Receptor: model based on 3UH0 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
TSB_A_3 0.000 8.5 1 92.1 5 -O-(N-(L-THREONYL)-SULFAMOYL)ADENOSINE 3UH0 Raw