Complexes after comparative docking

Receptor: model based on 3TYD chain:B
& 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
XHP_B_12 0.000 3.9 0.71 91.3 2-AMINO-6-METHYLIDENE-6,7-DIHYDROPTERIDIN-4(3H)-ONE 3TYD Raw
POP_B_11 0.000 2.4 0.71 14.4 PYROPHOSPHATE 2- 3TYD Raw