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Ligand · 52Y

52Y · methyl (2Z)-cyano[3-(3-fluoro-4'-methoxybiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate

52Y, methyl (2Z)-cyano[3-(3-fluoro-4'-methoxybiphenyl-4-yl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate (C20 H15 F N2 O4 S, 398.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
52Y
Formula
C20 H15 F N2 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

52Y in 2 structures; the first of them:

  • 4YLW · Crystal structure of human dihydroorotate dehydrogenase (DHODH) with No.33 compound · 52Y A401 · binds TYR38, LEU42, MET43, LEU46, LEU58, ALA59, PHE62, THR63 and 10 more
  • 4YLW · Crystal structure of human dihydroorotate dehydrogenase (dhodh) with NO.33 compound · 52Y A401 · binds TYR38, LEU42, MET43, LEU46, LEU58, ALA59, PHE62, THR63 and 10 more

Residues it binds most

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

Found with

  • FMN · Flavin mononucleotide
  • ORO · Orotic acid
  • SO4 · Sulfate ion

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