Complexes after comparative docking

Receptor: model based on 1G4S 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
TPS_A_5 0.000 7.9 0.92 0.0 THIAMIN PHOSPHATE 1G4S Raw