Complexes after comparative docking

Receptor: model based on 3HHU chain:B
& 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
819_B_4 0.000 6.3 0.68 66.9 ETHYL (4-{3-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-5-SULFANYL-4H-1,2,4-TRIAZOL-4-YL}BENZYL)CARBAMATE 3HHU Raw