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Ligand · 509

509 · 4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-carboxylic acid

509, 4-bromo-3-(carboxymethoxy)-5-phenylthiophene-2-carboxylic acid (C13 H9 Br O5 S, 357.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
509
Formula
C13 H9 Br O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

509 in 2 structures; the first of them:

  • 2H4K · Crystal structure of PTP1B with a monocyclic thiophene inhibitor · 509 A300 · binds TYR46, ASP48, VAL49, GLU115, LYS120, ASP181, PHE182, GLY183 and 8 more
  • 2H4K · Crystal structure of PTP1B with a monocyclic thiophene inhibitor · 509 A300 · binds TYR46, ASP48, VAL49, GLU115, LYS120, ASP181, PHE182, GLY183 and 8 more

Residues it binds most

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

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