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Ligand · 4F1

4F1 · 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid

4F1, 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid (C22 H12 Cl F3 N2 O3, 444.8 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (5 PDB entries). Every binding site with its residues within 4.5 Å…

Component
4F1
Formula
C22 H12 Cl F3 N2 O3
Class
ligand
Structures
6
PDB entries
5

Binding sites

4F1 in 6 structures; the first of them:

  • 6T4I · ROR(gamma)t ligand binding domain in complex with cholesterol and allosteric ligand MRL871 · 4F1 A602 · binds TRP317, ALA321, LEU324, THR325, ILE328, GLN329, LEU353, LYS354 and 17 more
  • 6T4I · ROR(GAMMA)T ligand binding domain in complex with cholesterol and allosteric ligand MRL871 · 4F1 A602 · binds TRP317, ALA321, LEU324, THR325, ILE328, GLN329, LEU353, LYS354 and 13 more
  • 6T4K · ROR(GAMMA)T ligand binding domain in complex with desmosterol and allosteric ligand MRL871 · 4F1 A602 · binds ALA321, LEU324, THR325, ILE328, GLN329, LEU353, LYS354, MET358 and 11 more
  • 6T4U · ROR(GAMMA)T ligand binding domain in complex with 20-alpha- hydroxycholesterol and… · 4F1 A803 · binds TRP317, ALA321, LEU324, THR325, ILE328, GLN329, LEU353, LYS354 and 12 more
  • 6T4Y · ROR(GAMMA)T ligand binding domain in complex with 25- hydroxycholesterol and allosteric… · 4F1 A602 · binds TRP317, ALA321, LEU324, THR325, ILE328, GLN329, LEU353, LYS354 and 13 more
  • 6TDC · Ppar gamma ligand binding domain in complex with mrl-871 · 4F1 A601 · binds PHE310, CYS313, GLN314, ARG316, SER317, ILE354, LEU358, MET362 and 9 more

Residues it binds most

LEU 6, ALA 5, GLN 6, PHE 6, ILE 6, MET 6, VAL 6, LYS 6, THR 5, TYR 5 (residue and the binding sites it lines).

Found with

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

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