Complexes after comparative docking

Receptor: model based on 2IPO 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
1IP_A_7 0.000 5.9 0.82 90.3 N~2~-(PHOSPHONOACETYL)-L-ASPARAGINE 2IPO Raw