Complexes after comparative docking

Receptor: model based on 4IPN chain:E
& 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
1FT_E_4 0.000 2.4 0.96 72.7 4-S-(6-O-PHOSPHONO-ALPHA-L-IDOPYRANOSYL)-4-THIO-BETA-D-GLUCOPYRANOSE 4IPN Raw