Complexes after comparative docking

Receptor: model based on 3RNI 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
21Z_A_2 0.000 5.0 0.63 74.5 3-[(4-AMINO-5-BENZOYL-1,3-THIAZOL-2-YL)AMINO]BENZENESULFONAMIDE 3RNI Raw