Complexes after comparative docking

Receptor: model based on 5FEM 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
60G_B_10 0.000 3.9 0.59 94.7 methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate 5FEM Raw
FAD_B_8 0.000 12.3 1 50.9 FLAVIN-ADENINE DINUCLEOTIDE 5FEM Raw