Complexes after comparative docking

Receptor: model based on 1FBF 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
AHM_A_5 0.000 2.9 0.99 82.3 2,5-ANHYDROMANNITOL-1,6-DIPHOSPHATE 1FBF Raw