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Ligand · 1JT

1JT · 1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole

1JT, 1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole (C20 H22 N2 O, 306.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
1JT
Formula
C20 H22 N2 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

1JT in 4 structures; the first of them:

  • 4J3F · Crystal Structure of FabI from F. tularensis in complex with novel inhibitors based on… · 1JT A301 · binds ALA92, PHE93, ALA94, LEU99, TYR146, MET153, PRO154, SER155 and 8 more
  • 4NZ9 · Crystal Structure of FabI from S. aureus in complex with a novel benzimidazole inhibitor · 1JT A301 · binds ALA95, PHE96, ALA97, MET99, LEU102, TYR147, VAL154, GLN155 and 7 more
  • 4J3F · Crystal structure of fabi from F. tularensis in complex with novel inhibitors based on… · 1JT A301 · binds ALA92, PHE93, ALA94, LEU99, TYR146, MET153, PRO154, SER155 and 8 more
  • 4NZ9 · Crystal structure of fabi from S. aureus in complex with a novel benzimidazole inhibitor · 1JT A301 · binds ALA95, PHE96, ALA97, MET99, LEU102, TYR147, VAL154, GLN155 and 7 more

Residues it binds most

MET 20, ALA 20, PHE 20, TYR 20, ILE 20, LEU 20, SER 20, PRO 16, LYS 10, VAL 4 (residue and the binding sites it lines).

Found with

  • NAD · Nicotinamide-adenine-dinucleotide
  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • NA · Sodium ion
  • ACT · Acetate ion
  • GOL · Glycerol

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