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Ligand · 2EE

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

2EE, 1-(3-{[2-(benzyloxy)-5-chloro-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (C25 H28 Cl N3 O2 S, 470.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
2EE
Formula
C25 H28 Cl N3 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

2EE in 2 structures; the first of them:

  • 4MW6 · Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor… · 2EE B806 · binds PRO247, ILE248, TYR250, ASP287, HIS289, GLY290, LEU456, VAL471 and 11 more
  • 4MW6 · Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor… · 2EE B806 · binds PRO247, ILE248, TYR250, ASP287, HIS289, GLY290, LEU456, VAL471 and 11 more

Residues it binds most

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

Found with

  • MET · Methionine
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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