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Ligand · YN4

YN4 · Ethyl 4-[(2-cyanoethyl)sulfanyl]-6-{[6-(piperazin-1-yl)

YN4, Ethyl 4-[(2-cyanoethyl)sulfanyl]-6-{[6-(piperazin-1-yl) (C25 H27 N5 O3 S, 477.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
YN4
Formula
C25 H27 N5 O3 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

YN4 in 2 structures; the first of them:

  • 5G21 · Leishmania major N-myristoyltransferase in complex with a quinoline inhibitor (compound… · YN4 A1002 · binds VAL81, GLU82, ASP83, PHE88, PHE90, ASN167, THR203, GLY205 and 10 more
  • 5G22 · Plasmodium vivax N-myristoyltransferase in complex with a quinoline inhibitor (compound… · YN4 A1001 · binds VAL96, GLU97, ASP98, PHE103, PHE105, TYR107, THR197, GLY199 and 9 more

Residues it binds most

LEU 4, PHE 4, TYR 4, ASN 4, VAL 4, ASP 4, GLU 4, GLY 4, SER 4, HIS 3 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • MYA · Tetradecanoyl-coa
  • NHW · 2-oxopentadecyl-CoA
  • CL · Chloride ion
  • SO4 · Sulfate ion

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