Complexes after comparative docking

Receptor: model based on 4GJ3 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
0XP_A_2 0.000 6.4 0.45 58.9 2,6-DICHLORO-4-CYANO-N-[2-({[(1R,2R)-2-FLUOROCYCLOPROPYL]CARBONYL}AMINO)PYRIDIN-4-YL]BENZAMIDE 4GJ3 Raw