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Ligand · 2EN

2EN · 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea

2EN, 1-(3-{[5-chloro-3-(prop-2-en-1-yl)-2-(prop-2-en-1-yloxy)benzyl]amino}propyl)-3-thiophen-3-ylurea (C21 H26 Cl N3 O2 S, 420.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
2EN
Formula
C21 H26 Cl N3 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

2EN in 2 structures; the first of them:

  • 4MWE · Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor… · 2EN B807 · binds PRO247, ILE248, TYR250, ASP287, HIS289, GLY290, GLU368, LEU456 and 12 more
  • 4MWE · Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor… · 2EN B807 · binds PRO247, ILE248, TYR250, ASP287, HIS289, GLY290, GLU368, LEU456 and 12 more

Residues it binds most

TYR 2, ASP 2, HIS 2, ILE 2, LEU 2, VAL 2, ALA 2, ASN 2, GLU 2, GLY 2 (residue and the binding sites it lines).

Found with

  • MET · Methionine
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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