Complexes after comparative docking

Receptor: model based on 1D09 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
PAL_C_8 0.000 6.8 0.79 94.5 N-(PHOSPHONACETYL)-L-ASPARTIC ACID 1D09 Raw