Complexes after comparative docking

Receptor: model based on 2X4F 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
16X_B_8 0.000 6.0 0.55 50.3 4-(2-AMINO-4-METHYL-1,3-THIAZOL-5-YL)-N-(3-DIOXAZIRIDIN-3-YLPHENYL)PYRIMIDIN-2-AMINE 2X4F Raw