Complexes after comparative docking

Receptor: model based on 4KKX 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
AQ3_B_8 0.000 10.1 0.94 100.0 N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-3-[(2-HYDROXYPHENYL)AMINO]-D-ALANINE 4KKX Raw