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Ligand · JTU

JTU · 6-bromo-2-{4-[(2R)-butan-2-yl]phenyl}-3-methylquinoline-4-carboxylic acid

JTU, 6-bromo-2-{4-[(2R)-butan-2-yl]phenyl}-3-methylquinoline-4-carboxylic acid (C21 H20 Br N O2, 398.3 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…

Component
JTU
Formula
C21 H20 Br N O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

JTU in 2 structures; the first of them:

  • 4JTU · Crystal structure of human dihydroorotate dehydrogenase (DHODH) with brequinar analogue · JTU A407 · binds TYR38, MET43, LEU46, GLN47, PRO52, ALA55, HIS56, ALA59 and 12 more
  • 4JTU · Crystal structure of human dihydroorotate dehydrogenase (dhodh) with brequinar analogue · JTU A407 · binds TYR38, MET43, LEU46, GLN47, PRO52, ALA55, HIS56, ALA59 and 12 more

Residues it binds most

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

Found with

  • DET · Undecylamine-N,N-dimethyl-N-oxide
  • FMN · Flavin mononucleotide
  • ORO · Orotic acid
  • SO4 · Sulfate ion

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