Complexes after comparative docking

Receptor: model based on 4EZ3 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
0S0_A_2 0.000 4.4 0.62 47.6 4-[(E)-(6-HYDROXY-2-OXO-1,2-DIHYDROPYRIDIN-3-YL)DIAZENYL]BENZENESULFONAMIDE 4EZ3 Raw
EDO_A_3 0.000 2.4 0.57 7.0 1,2-ETHANEDIOL 4EZ3 Raw