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Ligand · 7I1

7I1 · 3-methyl-N-(naphthalen-1-ylmethyl)-4-piperidin-4-yloxy-1-benzofuran-2-carboxamide

7I1, 3-methyl-N-(naphthalen-1-ylmethyl)-4-piperidin-4-yloxy-1-benzofuran-2-carboxamide (C26 H26 N2 O3, 414.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
7I1
Formula
C26 H26 N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

7I1 in 2 structures; the first of them:

  • 4B11 · Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 13) · 7I1 A999 · binds VAL96, GLU97, ASP98, PHE103, ARG104, PHE105, TYR107, THR197 and 12 more
  • 4B11 · Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 13) · 7I1 A999 · binds VAL96, GLU97, ASP98, PHE103, ARG104, PHE105, TYR107, THR197 and 12 more

Residues it binds most

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