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Ligand · BRE

BRE · 2-biphenyl-4-yl-6-fluoro-3-methyl-quinoline-4-carboxylic acid

BRE, 2-biphenyl-4-yl-6-fluoro-3-methyl-quinoline-4-carboxylic acid (C23 H16 F N O2, 357.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
BRE
Formula
C23 H16 F N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

BRE in 2 structures; the first of them:

  • 1D3G · Human dihydroorotate dehydrogenase complexed with brequinar analog · BRE A397 · binds TYR38, MET43, LEU46, GLN47, ASP51, PRO52, ALA55, HIS56 and 15 more
  • 1D3G · Human dihydroorotate dehydrogenase complexed with brequinar analog · BRE A397 · binds TYR38, MET43, LEU46, GLN47, ASP51, PRO52, ALA55, HIS56 and 15 more

Residues it binds most

LEU 2, PRO 2, ALA 2, MET 2, PHE 2, THR 2, TYR 2, VAL 2, ARG 2, ASP 2 (residue and the binding sites it lines).

Found with

  • DDQ · Decylamine-N,N-dimethyl-N-oxide
  • FMN · Flavin mononucleotide
  • ORO · Orotic acid
  • SO4 · Sulfate ion
  • ACT · Acetate ion

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