Complexes after comparative docking

Receptor: model based on 2BEU 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
THV_A_6 0.000 7.2 0.76 100.0 C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATE 2BEU Raw