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Ligand · 32E

32E · 2-(3-chlorophenoxy)-3-fluoro-4-{(1S)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid

32E, 2-(3-chlorophenoxy)-3-fluoro-4-{(1S)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid (C28 H31 Cl F N3 O5, 544.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
32E
Formula
C28 H31 Cl F N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

32E in 2 structures; the first of them:

  • 4QGH · S.aureus TMK in complex with potent inhibitor compound 47 · 32E A301 · binds GLU11, GLU37, PRO38, ILE47, ARG48, VAL51, LEU52, LEU65 and 10 more
  • 4QGH · S.AUREUS tmk in complex with potent inhibitor compound 47 · 32E A301 · binds GLU11, GLU37, PRO38, ILE47, ARG48, VAL51, LEU52, LEU65 and 10 more

Residues it binds most

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

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