Complexes after comparative docking

Receptor: model based on 5G44 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
YTZ_A_5 0.000 4.2 0.7 35.3 4-AMINO-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE 5G44 Raw