Complexes after comparative docking

Receptor: model based on 3KXH 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
K66_A_2 0.000 6.2 0.46 51.0 [4,5,6,7-TETRABROMO-2-(DIMETHYLAMINO)-1H-BENZIMIDAZOL-1-YL]ACETIC ACID 3KXH Raw