Complexes after comparative docking

Receptor: model based on 3O15 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
3NM_A_2 0.000 4.3 0.7 41.1 4-METHYL-5-[2-(PHOSPHONOOXY)ETHYL]-1,3-THIAZOLE-2-CARBOXYLIC ACID 3O15 Raw