Complexes after comparative docking

Receptor: model based on 4N66 chain:E
& 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
2GZ_E_14 0.000 6.0 0.68 80.7 P-((((BENZYLOXY)CARBONYL)AMINO)METHYL)-N-((S)-4-METHYL-1-(NEOPENTYLAMINO)-1-OXOPENTAN-2-YL)PHOSPHONAMIDIC ACID 4N66 Raw