Complexes after comparative docking

Receptor: model based on 3SGV 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
2BJ_A_7 0.000 3.7 0.39 15.4 2-{[3-(3,4-DIMETHYLPHENOXY)PHENYL]CARBAMOYL}-4-NITROBENZOIC ACID 3SGV Raw
2BJ_A_5 0.000 6.6 0.77 55.7 2-{[3-(3,4-DIMETHYLPHENOXY)PHENYL]CARBAMOYL}-4-NITROBENZOIC ACID 3SGV Raw