Complexes after comparative docking

Receptor: model based on 4KZ3 chain:B
& 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
1U1_B_5 0.000 3.4 0.58 6.2 5-CHLORO-3-SULFAMOYLTHIOPHENE-2-CARBOXYLIC ACID 4KZ3 Raw