Complexes after comparative docking

Receptor: model based on 5AIB 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
KJU_A_5 0.000 3.4 0.4 58.2 6-CHLORO-2H-1,4-BENZOXAZIN-3(4H)-ONE 5AIB Raw