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Ligand · 80O

80O · N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-pyridine-3-carboxamide

80O, N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-pyridine-3-carboxamide (C20 H24 N4 O3, 368.4 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
80O
Formula
C20 H24 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

80O in 2 structures; the first of them:

  • 4UFX · Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 19) · 80O A1000 · binds VAL96, GLU97, ASP98, PHE103, ARG104, PHE105, TYR107, THR197 and 13 more
  • 4UFX · Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 19) · 80O A1000 · binds VAL96, GLU97, ASP98, PHE103, ARG104, PHE105, TYR107, THR197 and 13 more

Residues it binds most

LEU 6, TYR 6, PHE 6, ALA 6, ARG 6, ASN 6, ASP 6, GLU 6, SER 6, THR 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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