Complexes after comparative docking

Receptor: model based on 4KZA 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
NZ9_A_7 0.000 2.6 0.57 12.9 3-(CYCLOPROPYLSULFAMOYL)THIOPHENE-2-CARBOXYLIC ACID 4KZA Raw
NZ9_A_6 0.000 2.8 0.7 63.8 3-(CYCLOPROPYLSULFAMOYL)THIOPHENE-2-CARBOXYLIC ACID 4KZA Raw