Complexes after comparative docking

Receptor: model based on 3VN2 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
TLS_A_3 0.000 10.2 0.75 70.9 4 -[(1,7 -DIMETHYL-2 -PROPYL-1H,3 H-2,5 -BIBENZIMIDAZOL-3 -YL)METHYL]BIPHENYL-2-CARBOXYLIC ACID 3VN2 Raw