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Ligand · 0Y5

0Y5 · 4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}-2-[3-(trifluoromethyl)phenoxy]benzoic acid

0Y5, 4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]methyl}-2-[3-(trifluoromethyl)phenoxy]benzoic acid (C25 H24 F3 N3 O5, 503.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
0Y5
Formula
C25 H24 F3 N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

0Y5 in 2 structures; the first of them:

  • 4GSY · Crystal structure of thymidylate kinase from Staphylococcus aureus bound to inhibitor. · 0Y5 A301 · binds GLU37, PRO38, GLY44, ILE47, ARG48, VAL51, LEU52, LEU65 and 8 more
  • 4GSY · Crystal structure of thymidylate kinase from staphylococcus aureus bound to inhibitor. · 0Y5 A301 · binds GLU37, PRO38, GLY44, ILE47, ARG48, VAL51, LEU52, LEU65 and 8 more

Residues it binds most

ARG 4, SER 4, LEU 4, TYR 4, GLN 4, GLU 4, GLY 4, ILE 4, PHE 4, PRO 4 (residue and the binding sites it lines).

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