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Ligand · 13Y

13Y · 2-(3-chlorophenoxy)-4-{(1R)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid

13Y, 2-(3-chlorophenoxy)-4-{(1R)-3-methyl-1-[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)piperidin-1-yl]butyl}benzoic acid (C28 H32 Cl N3 O5, 526.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
13Y
Formula
C28 H32 Cl N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

13Y in 2 structures; the first of them:

  • 4HDC · Discovery of Selective and Potent Inhibitors of Gram-positive Bacterial Thymidylate… · 13Y A301 · binds GLU11, GLU37, PRO38, ILE47, ARG48, VAL51, LEU52, GLU62 and 10 more
  • 4HDC · Discovery of selective and potent inhibitors of gram-positive bacterial thymidylate… · 13Y A301 · binds GLU11, GLU37, PRO38, ILE47, ARG48, VAL51, LEU52, GLU62 and 10 more

Residues it binds most

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

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