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Ligand · 03U

03U · methyl 4-{[(2Z)-2-cyano-3-hydroxypent-2-enoyl]amino}-4'-fluorobiphenyl-2-carboxylate

03U, methyl 4-{[(2Z)-2-cyano-3-hydroxypent-2-enoyl]amino}-4'-fluorobiphenyl-2-carboxylate (C20 H17 F N2 O4, 368.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
03U
Formula
C20 H17 F N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

03U in 2 structures; the first of them:

  • 3U2O · Dihydroorotate Dehydrogenase (DHODH) crystal structure in complex with small molecule… · 03U A1 · binds TYR38, MET43, LEU46, PRO52, ALA55, HIS56, ALA59, PHE62 and 12 more
  • 3U2O · Dihydroorotate dehydrogenase (dhodh) crystal structure in complex with small molecule… · 03U A1 · binds TYR38, MET43, LEU46, PRO52, ALA55, HIS56, ALA59, PHE62 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, HIS 2 (residue and the binding sites it lines).

Found with

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

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