Complexes after comparative docking

Receptor: model based on 1O4O 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
HPS_C_3 0.000 2.9 0.66 86.0 PHENYL DIHYDROGEN PHOSPHATE 1O4O Raw