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Ligand · L3E

L3E · 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid

L3E, 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid (C22 H13 Cl F3 N3 O3, 459.8 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (5 PDB entries).…

Component
L3E
Formula
C22 H13 Cl F3 N3 O3
Class
ligand
Structures
6
PDB entries
5

Binding sites

L3E in 6 structures; the first of them:

  • 6T4X · ROR(gamma)t ligand binding domain in complex with 25-hydroxycholesterol and allosteric… · L3E A602 · binds TRP317, ALA321, LEU324, THR325, ILE328, GLN329, LEU353, LYS354 and 16 more
  • 6SAL · ROR(GAMMA)T ligand binding domain in complex with allosteric ligand FM26 · L3E A601 · binds TRP317, ALA321, LEU324, THR325, ILE328, GLN329, LEU353, LYS354 and 14 more
  • 6T4G · ROR(GAMMA)T ligand binding domain in complex with cholesterol and allosteric ligand FM26 · L3E A602 · binds TRP317, ALA321, LEU324, THR325, ILE328, GLN329, LEU353, LYS354 and 13 more
  • 6T4J · ROR(GAMMA)T ligand binding domain in complex with desmosterol and allosteric ligand FM26 · L3E A602 · binds TRP317, ALA321, LEU324, THR325, ILE328, GLN329, LEU353, LYS354 and 14 more
  • 6T4T · ROR(GAMMA)T ligand binding domain in complex with 20-alpha- hydroxycholesterol and… · L3E A803 · binds TRP317, ALA321, LEU324, THR325, ILE328, GLN329, LEU353, LYS354 and 14 more
  • 6T4X · ROR(GAMMA)T ligand binding domain in complex with 25- hydroxycholesterol and allosteric… · L3E A602 · binds TRP317, ALA321, LEU324, THR325, ILE328, GLN329, LEU353, LYS354 and 14 more

Residues it binds most

LEU 6, ALA 6, GLN 6, PHE 6, ILE 6, LYS 6, MET 6, THR 6, TRP 6, TYR 6 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • HC3 · 25-hydroxycholesterol
  • CLR · Cholesterol
  • HCD · (3alpha,8alpha)-cholest-5-ene-3,20-diol
  • MHQ · Desmosterol

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