Complexes after comparative docking

Receptor: model based on 3QJ5 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
022_A_7 0.000 5.2 0.65 54.8 3-{1-(4-CARBAMOYL-2-METHYLPHENYL)-5-[4-(1H-IMIDAZOL-1-YL)PHENYL]-1H-PYRROL-2-YL}PROPANOIC ACID 3QJ5 Raw
NAD_A_6 0.000 9.0 0.87 79.5 NICOTINAMIDE-ADENINE-DINUCLEOTIDE 3QJ5 Raw