Complexes after comparative docking

Receptor: model based on 3USF 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
PLR_A_3 0.000 3.7 0.56 93.8 (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE 3USF Raw
HOZ_A_4 0.000 2.3 0.65 12.5 (4S)-4,5-DIAMINOPENTANOIC ACID 3USF Raw