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Ligand · GHU

GHU · Ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl) oxy]propoxy}phenyl)propanoate

GHU, Ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl) oxy]propoxy}phenyl)propanoate (C20 H28 N4 O4, 388.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
GHU
Formula
C20 H28 N4 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

GHU in 2 structures; the first of them:

  • 5SCM · Crystal Structure of Dihydrofolate Reductase from Mycobacterium tuberculosis bound to… · GHU A207 · binds ILE5, TRP6, ALA7, ILE20, ARG23, ASP27, GLN28, PHE31 and 7 more
  • 5SCM · Crystal structure of dihydrofolate reductase from mycobacterium tuberculosis bound to… · GHU A207 · binds ILE5, TRP6, ALA7, ILE20, ARG23, ASP27, GLN28, PHE31 and 5 more

Residues it binds most

ILE 2, LEU 2, THR 2, ALA 2, ARG 2, ASP 2, GLN 2, PHE 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • IOD · Iodide ion
  • EDO · 1,2-ethanediol

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