Complexes after comparative docking

Receptor: model based on 3G8O 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
30X_A_3 0.000 6.8 0.78 62.7 N~2~-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-N,N-DIMETHYL-N~2~-(2,2,2-TRIFLUOROETHYL)-L-ALANINAMIDE 3G8O Raw