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Ligand · 2E9

2E9 · 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea

2E9, 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (C18 H22 Cl N3 O2 S, 379.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
2E9
Formula
C18 H22 Cl N3 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

2E9 in 2 structures; the first of them:

  • 4MW2 · Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor… · 2E9 B808 · binds PRO247, ILE248, TYR250, ASP287, HIS289, GLY290, LEU456, VAL471 and 11 more
  • 4MW2 · Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor… · 2E9 B808 · 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
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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