Complexes after comparative docking

Receptor: model based on 4YQG 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
4GY_A_2 0.000 5.2 0.65 93.6 4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide 4YQG Raw