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Ligand · YBN

YBN · 3-methoxybenzyl 3-(piperidin-4-yloxy)-1-benzothiophene-2-carboxylate

YBN, 3-methoxybenzyl 3-(piperidin-4-yloxy)-1-benzothiophene-2-carboxylate (C22 H23 N O4 S, 397.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
YBN
Formula
C22 H23 N O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

YBN in 2 structures; the first of them:

  • 4BBH · Plasmodium vivax N-myristoyltransferase with a bound benzothiophene inhibitor · YBN A1001 · binds VAL96, GLU97, ASP98, PHE103, ARG104, PHE105, TYR107, THR197 and 14 more
  • 4BBH · Plasmodium vivax N-myristoyltransferase with a bound benzothiophene inhibitor · YBN A1001 · binds VAL96, GLU97, ASP98, PHE103, ARG104, PHE105, TYR107, THR197 and 14 more

Residues it binds most

LEU 6, TYR 6, VAL 6, PHE 6, SER 6, ALA 6, ASN 6, THR 6, ARG 4, ASP 4 (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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