GL1X · GenesisL1 explorer

Ligand · 43E

43E · 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea

43E, 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea (C15 H17 Cl2 N3 O S, 358.3 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
43E
Formula
C15 H17 Cl2 N3 O S
Class
ligand
Structures
6
PDB entries
3

Binding sites

43E in 6 structures; the first of them:

  • 4MVW · Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor… · 43E B807 · binds PRO247, ILE248, TYR250, ASP287, HIS289, GLY290, GLU368, LEU456 and 12 more
  • 4MWD · Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor… · 43E B808 · binds PRO247, ILE248, TYR250, ASP287, HIS289, GLY290, GLU368, LEU456 and 12 more
  • 4PY2 · Crystal structure of methionyl-tRNA synthetase MetRS from Brucella melitensis in complex… · 43E A601 · binds ALA11, ILE12, TYR14, ASP51, HIS53, GLY54, PHE213, MET227 and 11 more
  • 4MVW · Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor… · 43E B807 · binds PRO247, ILE248, TYR250, ASP287, HIS289, GLY290, GLU368, LEU456 and 12 more
  • 4MWD · Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor… · 43E B808 · binds PRO247, ILE248, TYR250, ASP287, HIS289, GLY290, GLU368, LEU456 and 12 more
  • 4PY2 · Crystal structure of methionyl-tRNA synthetase metrs from brucella melitensis in complex… · 43E A601 · binds ALA11, ILE12, TYR14, ASP51, HIS53, GLY54, PHE213, MET227 and 11 more

Residues it binds most

TYR 10, ASP 10, HIS 10, ILE 10, ALA 10, PHE 10, LEU 10, VAL 10, ASN 10, GLY 10 (residue and the binding sites it lines).

Found with

  • MET · Methionine
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • ACP · Phosphomethylphosphonic acid adenylate ester
  • EDO · 1,2-ethanediol

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