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Ligand · IMJ

IMJ · (2E)-N-[(1,2-dimethyl-1H-indol-3-yl)methyl]-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide

IMJ, (2E)-N-[(1,2-dimethyl-1H-indol-3-yl)methyl]-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide (C23 H24 N4 O2, 388.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…

Component
IMJ
Formula
C23 H24 N4 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

IMJ in 4 structures; the first of them:

  • 3OIG · Crystal Structure of Enoyl-ACP Reductases I (FabI) from B. subtilis (complex with NAD and… · IMJ A301 · binds ALA96, PHE97, ALA98, LYS100, LEU103, TYR148, MET155, PRO156 and 9 more
  • 3OJF · Crystal Structure of the Bacillus cereus Enoyl-Acyl Carrier Protein Reductase with NADP+… · IMJ A801 · binds ALA95, PHE96, ALA97, ARG99, LEU102, TYR147, VAL154, LYS155 and 12 more
  • 3OIG · Crystal structure of enoyl-acp reductases I (fabi) from B. subtilis (complex with NAD and… · IMJ A301 · binds ALA96, PHE97, ALA98, LYS100, LEU103, TYR148, MET155, PRO156 and 9 more
  • 3OJF · Crystal structure of the bacillus cereus enoyl-acyl carrier protein reductase with NADP+… · IMJ A801 · binds ALA95, PHE96, ALA97, ARG99, LEU102, TYR147, VAL154, LYS155 and 12 more

Residues it binds most

LYS 10, ALA 10, TYR 10, PHE 10, LEU 10, VAL 8, MET 10, PRO 10, ASN 10, ILE 8 (residue and the binding sites it lines).

Found with

  • NAD · Nicotinamide-adenine-dinucleotide
  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate

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