Complexes after comparative docking

Receptor: model based on 1UEJ 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
CTN_D_4 0.000 7.2 0.86 57.9 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE 1UEJ Raw
CIT_F_6 0.000 3.6 0.74 59.9 CITRIC ACID 1UEJ Raw