Complexes after comparative docking

Receptor: model based on 1U40 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
CDM_A_3 0.000 3.3 0.76 92.8 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL 1U40 Raw