Complexes after comparative docking

Receptor: model based on 1YDR 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
IQP_C_3 0.000 5.1 0.56 43.3 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE 1YDR Raw