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Ligand · 1JU

1JU · 1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole

1JU, 1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole (C19 H18 N2 O2, 306.4 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
1JU
Formula
C19 H18 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

1JU in 2 structures; the first of them:

  • 4J4T · Crystal Structure of FabI from F. tularensis in complex with novel inhibitors based on… · 1JU A302 · binds ALA92, PHE93, ALA94, LEU99, TYR146, PRO154, SER155, TYR156 and 6 more
  • 4J4T · Crystal structure of fabi from F. tularensis in complex with novel inhibitors based on… · 1JU A302 · binds ALA92, PHE93, ALA94, LEU99, TYR146, PRO154, SER155, TYR156 and 6 more

Residues it binds most

ALA 16, MET 16, PHE 16, TYR 16, ILE 16, LEU 16, PRO 16, SER 16, LYS 14 (residue and the binding sites it lines).

Found with

  • NAD · Nicotinamide-adenine-dinucleotide
  • NA · Sodium ion
  • ACT · Acetate ion
  • GOL · Glycerol

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