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Ligand · 073

073 · (4-{(2S,4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(methoxycarbonyl)phenyl]-5-phenylpent-4-enyl}phenyl)(difluoro)methylphosphonic acid

073, (4-{(2S,4E)-2-(1H-1,2,3-benzotriazol-1-yl)-2-[4-(methoxycarbonyl)phenyl]-5-phenylpent-4-enyl}phenyl)(difluoro)methylphosphonic acid (C32 H28 F2 N3 O5 P, 603.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB…

Component
073
Formula
C32 H28 F2 N3 O5 P
Class
ligand
Structures
4
PDB entries
2

Binding sites

073 in 4 structures; the first of them:

  • 2FJM · The structure of phosphotyrosine phosphatase 1B in complex with compound 2 · 073 A800 · binds TYR546, ARG547, ASP548, VAL549, ASP681, PHE682, CYS715, SER716 and 14 more
  • 2FJN · The structure of phosphotyrosine phosphatase 1B in complex with compound 2 · 073 A401 · binds TYR546, ARG547, ASP548, VAL549, LEU619, ASP681, PHE682, CYS715 and 15 more
  • 2FJM · The structure of phosphotyrosine phosphatase 1B in complex with compound 2 · 073 A800 · binds TYR546, ARG547, ASP548, VAL549, ASP681, PHE682, CYS715, SER716 and 14 more
  • 2FJN · The structure of phosphotyrosine phosphatase 1B in complex with compound 2 · 073 A401 · binds TYR546, ARG547, ASP548, VAL549, LEU619, ASP681, PHE682, CYS715 and 15 more

Residues it binds most

GLY 8, ASP 8, ALA 8, ARG 8, GLN 8, ILE 8, SER 8, CYS 8, MET 8, PHE 8 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • MG · Magnesium ion

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