Complexes after comparative docking

Receptor: model based on 4HT3 chain:B
& 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
PLP_B_12 0.000 4.9 0.53 70.8 PYRIDOXAL-5 -PHOSPHATE 4HT3 Raw
EDO_B_13 0.000 2.3 0.57 27.6 1,2-ETHANEDIOL 4HT3 Raw