Complexes after comparative docking

Receptor: model based on 4OLD 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
2UZ_A_3 0.000 2.9 0.7 12.9 (2R)-2-[(R)-AMINO(CARBOXY)METHYL]-3,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC ACID 4OLD Raw