Complexes after comparative docking

Receptor: model based on 5I5S 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
PLP_A_3 0.000 4.4 0.53 53.9 PYRIDOXAL-5 -PHOSPHATE 5I5S Raw
NVU_A_4 0.000 3.1 0.49 91.7 2-(1,2-benzoxazol-3-yl)ethanoic acid 5I5S Raw