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Ligand · 668

668 · 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide

668, 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide (C25 H35 Cl F3 N3 O3, 518.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every…

Component
668
Formula
C25 H35 Cl F3 N3 O3
Class
ligand
Structures
2
PDB entries
2

Binding sites

668 in 2 structures; the first of them:

  • 5HJP · Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease · 668 B501 · binds ASN239, SER242, PHE243, PHE268, PHE271, THR272, LEU274, ALA275 and 18 more
  • 5HJS · Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease · 668 A301 · binds PHE90, PHE93, THR94, LEU96, ALA97, VAL99, SER100, GLU103 and 15 more

Residues it binds most

LEU 4, PHE 4, GLU 4, THR 4, ILE 4, SER 4, ALA 4, ARG 4, GLN 4, HIS 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • PEG · Di(hydroxyethyl)ether

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