Complexes after comparative docking

Receptor: model based on 4D1X 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
ESJ_A_2 0.000 4.8 0.68 49.1 (4S)-2-(6-HYDROXY-1,3-BENZOTHIAZOL-2-YL)-4,5-DIHYDRO-1,3-THIAZOLE-4-CARBOXYLIC ACID 4D1X Raw