Complexes after comparative docking

Receptor: model based on 4CSJ 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
NN7_A_4 0.000 10.1 0.8 59.7 N-[(2S)-1-[[1-(4-FLUOROPHENYL)INDAZOL-4-YL]AMINO]PROPAN-2-YL]-2,4,6-TRIMETHYL-BENZENESULFONAMIDE 4CSJ Raw
EDO_A_3 0.000 2.3 0.54 5.2 1,2-ETHANEDIOL 4CSJ Raw