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Ligand · 29I

29I · (phenylmethyl) N-[(2R)-2-[2-(4-bromanyl-3-oxidanyl-phenyl)-5-(methylcarbamoyl)benzimidazol-1-yl]-2-(3,4-dimethoxyphenyl)ethyl]carbamate

29I, (phenylmethyl) N-[(2R)-2-[2-(4-bromanyl-3-oxidanyl-phenyl)-5-(methylcarbamoyl)benzimidazol-1-yl]-2-(3,4-dimethoxyphenyl)ethyl]carbamate (C33 H31 Br N4 O6, 659.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
29I
Formula
C33 H31 Br N4 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

29I in 2 structures; the first of them:

  • 7WPN · Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a phenylbenzimidazole… · 29I A603 · binds PRO11, ILE12, TYR14, ASP51, HIS53, GLY54, LYS56, PHE220 and 12 more
  • 7WPN · Methionyl-tRNA synthetase from staphylococcus aureus complexed with a phenylbenzimidazole… · 29I A603 · binds ILE12, TYR14, ASP51, HIS53, GLY54, LYS56, PHE220, VAL234 and 10 more

Residues it binds most

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

Found with

  • ATP · Adenosine-5'-triphosphate
  • ACY · Acetic acid
  • EDO · 1,2-ethanediol

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