Complexes after comparative docking

Receptor: model based on 3SQQ 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
99Z_A_3 0.000 5.8 0.68 88.9 4-{[4-AMINO-5-(2-METHYLBENZOYL)-1,3-THIAZOL-2-YL]AMINO}BENZENESULFONAMIDE 3SQQ Raw