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Ligand · 2EM

2EM · 1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea

2EM, 1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea (C18 H21 N3 O S2, 359.5 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…

Component
2EM
Formula
C18 H21 N3 O S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

2EM in 2 structures; the first of them:

  • 4MWC · Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor… · 2EM B806 · binds PRO247, ILE248, TYR250, ASP287, HIS289, GLY290, GLU368, LEU456 and 12 more
  • 4MWC · Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor… · 2EM B806 · 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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