Complexes after comparative docking

Receptor: model based on 4KZ8 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
1U6_A_3 0.000 2.9 0.58 16.2 1,3-DIETHYL-2-THIOXODIHYDROPYRIMIDINE-4,6(1H,5H)-DIONE 4KZ8 Raw