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Ligand · 961

961 · 3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid

961, 3-fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-yl)-acetylamino]-benzoic acid (C23 H26 F N O4, 399.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site…

Component
961
Formula
C23 H26 F N O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

961 in 4 structures; the first of them:

  • 1EXX · Enantiomer discrimination illustrated by crystal structures of the human retinoic acid… · 961 A450 · binds PHE201, TRP227, PHE230, LEU233, ALA234, CYS237, LEU268, LEU271 and 17 more
  • 4LBD · Ligand-binding domain of the human retinoic acid receptor gamma bound to the synthetic… · 961 A1 · binds PHE201, TRP227, PHE230, LEU233, ALA234, CYS237, LEU268, LEU271 and 16 more
  • 1EXX · Enantiomer discrimination illustrated by crystal structures of the human retinoic acid… · 961 A450 · binds PHE201, TRP227, PHE230, LEU233, ALA234, CYS237, LEU268, LEU271 and 17 more
  • 4LBD · Ligand-binding domain of the human retinoic acid receptor gamma bound to the synthetic… · 961 A1 · binds PHE201, TRP227, PHE230, LEU233, ALA234, CYS237, LEU268, LEU271 and 16 more

Residues it binds most

LEU 4, PHE 4, ARG 4, MET 4, ALA 4, GLY 4, ILE 4, CYS 4, SER 4, TRP 4 (residue and the binding sites it lines).

Found with

  • LMU · Dodecyl-alpha-D-maltoside

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