Complexes after comparative docking

Receptor: model based on 3TDF 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
2KT_A_3 0.000 3.1 0.27 79.3 2-KETOBUTYRIC ACID 3TDF Raw