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Ligand · O90

O90 · {3-chloro-4-[(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)sulfanyl]phenyl}acetic acid

O90, {3-chloro-4-[(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)sulfanyl]phenyl}acetic acid (C22 H21 Cl F3 N O4 S, 487.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
O90
Formula
C22 H21 Cl F3 N O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

O90 in 2 structures; the first of them:

  • 3IPS · X-ray structure of benzisoxazole synthetic agonist bound to the LXR-alpha · O90 A1 · binds PHE254, PHE257, THR258, LEU260, ALA261, SER264, GLU267, ILE295 and 17 more
  • 3IPS · X-ray structure of benzisoxazole synthetic agonist bound to the lxr- alpha · O90 A1 · binds PHE254, PHE257, THR258, LEU260, ALA261, SER264, GLU267, ILE295 and 17 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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