Complexes after comparative docking

Receptor: model based on 4MY8 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
Q21_B_13 0.000 5.5 0.45 56.3 (2S)-2-(NAPHTHALEN-1-YLOXY)-N-[2-(PYRIDIN-4-YL)-1,3-BENZOXAZOL-5-YL]PROPANAMIDE 4MY8 Raw