Complexes after comparative docking

Receptor: model based on 3S1X chain:C
& 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
I22_C_8 0.000 3.0 0.73 97.5 D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE 3S1X Raw