Complexes after comparative docking

Receptor: model based on 3L0E 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
G58_A_3 0.000 10.3 0.72 54.4 N-(2-CHLORO-6-FLUOROBENZYL)-1-METHYL-N-{[3 -(METHYLSULFONYL)BIPHENYL-4-YL]METHYL}-1H-IMIDAZOLE-4-SULFONAMIDE 3L0E Raw