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Ligand · A1A40

A1A40 · (3M)-6-fluoro-3-(2,4,5-trifluoro-3-methoxyphenyl)-1-benzothiophene-2-carboxylic acid

A1A40, (3M)-6-fluoro-3-(2,4,5-trifluoro-3-methoxyphenyl)-1-benzothiophene-2-carboxylic acid (C16 H8 F4 O3 S, 356.3 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within…

Component
A1A40
Formula
C16 H8 F4 O3 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

A1A40 in 1 structure; the first of them:

  • 9DI9 · Rat branched chain ketoacid dehydrogenase kinase in complex with inhibitor · A1A40 A404 · binds LEU68, ILE72, ARG75, TYR99, ALA102, LEU106, VAL125, LEU128 and 8 more

Residues it binds most

LEU 1, ARG 1, ALA 1, ILE 1, VAL 1, HIS 1, THR 1, TYR 1 (residue and the binding sites it lines).

Found with

  • ADP · Adenosine-5'-diphosphate
  • K · Potassium ion
  • MG · Magnesium ion
  • PO4 · Phosphate ion

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