Complexes after comparative docking

Receptor: model based on 4MYA 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
2EY_A_4 0.000 5.8 0.49 59.0 4-{(1R)-1-[1-(4-CHLOROPHENYL)-1H-1,2,3-TRIAZOL-4-YL]ETHOXY}QUINOLIN-2(1H)-ONE 4MYA Raw