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Ligand · 3R4

3R4 · 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid

3R4, 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid (C9 H4 Cl F O2 S, 230.6 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…

Component
3R4
Formula
C9 H4 Cl F O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3R4 in 2 structures; the first of them:

  • 4WMV · STRUCTURE OF MBP-MCL1 BOUND TO ligand 4 AT 2.4A · 3R4 A404 · binds ALA227, PHE228, MET231, MET250, PHE254, ARG263, THR266, LEU267 and 1 more
  • 4WMV · Structure of mbp-MCL1 bound to ligand 4 at 2.4A · 3R4 A404 · binds ALA227, PHE228, MET231, MET250, PHE254, ARG263, THR266, LEU267 and 1 more

Residues it binds most

PHE 2, MET 2, ALA 2, ARG 2, LEU 2, THR 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • GLC · alpha-D-glucopyranose
  • CL · Chloride ion

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