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Ligand · 4KQ

4KQ · 2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid

4KQ, 2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid (C27 H25 F3 O6, 502.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
4KQ
Formula
C27 H25 F3 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

4KQ in 2 structures; the first of them:

  • 5AVL · Crystal structure of LXRalpha in complex with tert-butyl benzoate analog, compound 32b · 4KQ A501 · binds PHE254, PHE257, THR258, LEU260, ALA261, SER264, GLU267, ILE295 and 18 more
  • 5AVL · Crystal structure of lxralpha in complex with tert-butyl benzoate analog, compound 32B · 4KQ A501 · binds PHE254, PHE257, THR258, LEU260, ALA261, SER264, GLU267, ILE295 and 18 more

Residues it binds most

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

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