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Ligand · 44F

44F · 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea

44F, 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-thiophen-3-ylurea (C16 H20 Cl N3 O2 S, 353.9 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
44F
Formula
C16 H20 Cl N3 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

44F in 2 structures; the first of them:

  • 4MW1 · Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor… · 44F B808 · binds PRO247, ILE248, TYR250, ASP287, HIS289, GLY290, GLU368, LEU456 and 12 more
  • 4MW1 · Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor… · 44F B808 · binds PRO247, ILE248, TYR250, ASP287, HIS289, GLY290, GLU368, LEU456 and 12 more

Residues it binds most

TYR 2, ALA 2, ASP 2, HIS 2, ILE 2, LEU 2, VAL 2, GLU 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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