Complexes after comparative docking

Receptor: model based on 4HPJ 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
1D0_B_5 0.000 10.8 0.95 100.0 (2E)-2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)IMINO]-3-[(2-HYDROXYPHENYL)AMINO]PROPANOIC ACID 4HPJ Raw