Complexes after comparative docking

Receptor: model based on 1X7X 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
TDP_A_7 0.000 5.9 0.69 79.1 THIAMIN DIPHOSPHATE 1X7X Raw