Complexes after comparative docking

Receptor: model based on 3Q8H 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
AO9_A_5 0.000 3.4 0.6 69.6 5 -DEOXY-5 -[(IMIDAZO[2,1-B][1,3]THIAZOL-5-YLCARBONYL)AMINO]CYTIDINE 3Q8H Raw