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Ligand · X25

X25 · 4-{[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methyl-1-benzofuran-4-yl]oxy}piperidine

X25, 4-{[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methyl-1-benzofuran-4-yl]oxy}piperidine (C23 H23 N3 O3, 389.4 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
X25
Formula
C23 H23 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

X25 in 2 structures; the first of them:

  • 4B13 · Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 25) · X25 A1411 · binds VAL96, GLU97, ASP98, PHE103, ARG104, PHE105, TYR107, THR197 and 12 more
  • 4B13 · Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 25) · X25 A1411 · binds VAL96, GLU97, ASP98, PHE103, ARG104, PHE105, TYR107, THR197 and 12 more

Residues it binds most

LEU 6, TYR 6, PHE 6, ALA 6, ARG 6, ASN 6, ASP 6, GLU 6, HIS 6, SER 6 (residue and the binding sites it lines).

Found with

  • NHW · 2-oxopentadecyl-CoA
  • MG · Magnesium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion

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