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Ligand · C23

C23 · 1-[3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-yl]-3-phenylpropan-1-one

C23, 1-[3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-yl]-3-phenylpropan-1-one (C23 H25 N O3, 363.4 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, the…

Component
C23
Formula
C23 H25 N O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

C23 in 2 structures; the first of them:

  • 4B12 · Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 23) · C23 A1411 · binds VAL96, GLU97, ASP98, PHE103, ARG104, PHE105, TYR107, THR197 and 12 more
  • 4B12 · Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 23) · C23 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
  • DMS · Dimethyl sulfoxide

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