Complexes after comparative docking

Receptor: model based on 1APV 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
DMF_F_6 0.000 2.0 0.59 13.7 DIMETHYLFORMAMIDE 1APV Raw
CHAIN_I_2 0.000 7.1 0.41 11.9 INHIBITOR ISOVALERYL (IVA)-VAL-VAL-HYDRATED DIFLUOROSTATONE-N-METHYLAMIDE 1APV Raw