Complexes after comparative docking

Receptor: model based on 4EBL 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
SFR_B_9 0.000 4.2 0.5 84.5 (2R)-2-[(1S,2R)-1-CARBOXY-2-HYDROXYPROPYL]-5-[(2R)-TETRAHYDROFURAN-2-YL]-2,3-DIHYDRO-1,3-THIAZOLE-4-CARBOXYLIC ACID 4EBL Raw