Complexes after comparative docking

Receptor: model based on 4FX3 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
60K_A_5 0.000 6.9 0.78 52.8 (3Z)-2-OXO-3-[2-(4-SULFAMOYLPHENYL)HYDRAZINYLIDENE]-2,3-DIHYDRO-1H-INDOLE-5-CARBOXYLIC ACID 4FX3 Raw
DTT_A_6 0.000 2.2 0.48 0.4 2,3-DIHYDROXY-1,4-DITHIOBUTANE 4FX3 Raw