GL1X · GenesisL1 explorer

Ligand · 429

429 · 2-{4-[2-acetylamino-3-(4-carboxymethoxy-3-hydroxy-phenyl)-propionylamino]-butoxy}-6-hydroxy-benzoic acid methyl ester

429, 2-{4-[2-acetylamino-3-(4-carboxymethoxy-3-hydroxy-phenyl)-propionylamino]-butoxy}-6-hydroxy-benzoic acid methyl ester (C25 H30 N2 O10, 518.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
429
Formula
C25 H30 N2 O10
Class
ligand
Structures
2
PDB entries
1

Binding sites

429 in 2 structures; the first of them:

  • 1QXK · Monoacid-Based, Cell Permeable, Selective Inhibitors of Protein Tyrosine Phosphatase 1B · 429 A322 · binds TYR20, ARG24, TYR46, ASP48, VAL49, ASP181, PHE182, CYS215 and 11 more
  • 1QXK · Monoacid-based, cell permeable, selective inhibitors of protein tyrosine phosphatase 1B · 429 A322 · binds TYR20, ARG24, TYR46, ASP48, VAL49, ASP181, PHE182, CYS215 and 11 more

Residues it binds most

ARG 2, ASP 2, GLN 2, GLY 2, ILE 2, TYR 2, ALA 2, CYS 2, MET 2, PHE 2 (residue and the binding sites it lines).

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