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Ligand · 512

512 · 4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid

512, 4-bromo-3-(carboxymethoxy)thiophene-2-carboxylic acid (C7 H5 Br O5 S, 281.1 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 binds most…

Component
512
Formula
C7 H5 Br O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

512 in 2 structures; the first of them:

  • 2HB1 · Crystal Structure of PTP1B with Monocyclic Thiophene Inhibitor · 512 A800 · binds TYR46, VAL49, GLU115, LYS120, ASP181, PHE182, GLY183, CYS215 and 7 more
  • 2HB1 · Crystal structure of PTP1B with monocyclic thiophene inhibitor · 512 A800 · binds TYR46, VAL49, GLU115, LYS120, ASP181, PHE182, GLY183, CYS215 and 7 more

Residues it binds most

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

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