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Ligand · YNE

YNE · 2-(3-piperidin-4-yloxy-1-benzothiophen-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole

YNE, 2-(3-piperidin-4-yloxy-1-benzothiophen-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole (C22 H25 N5 O2 S, 423.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
YNE
Formula
C22 H25 N5 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

YNE in 2 structures; the first of them:

  • 2YNE · Plasmodium vivax N-myristoyltransferase in complex with a benzothiophene inhibitor · YNE A1001 · binds VAL96, GLU97, ASP98, PHE103, ARG104, PHE105, TYR107, THR197 and 14 more
  • 2YNE · Plasmodium vivax N-myristoyltransferase in complex with a benzothiophene inhibitor · YNE A1001 · binds VAL96, GLU97, ASP98, PHE103, ARG104, PHE105, TYR107, THR197 and 14 more

Residues it binds most

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

Found with

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

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