Complexes after comparative docking

Receptor: model based on 2BEV 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
THY_A_4 0.000 7.5 0.78 98.5 C2-1-HYDROXY-2-METHYL-BUTYL-THIAMIN DIPHOSPHATE 2BEV Raw