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Ligand · AE6

AE6 · 6-{(1E)-3-[3-(3-methyl-1-benzofuran-2-yl)azetidin-1-yl]-3-oxoprop-1-en-1-yl}-1,8-naphthyridin-2(1H)-one

AE6, 6-{(1E)-3-[3-(3-methyl-1-benzofuran-2-yl)azetidin-1-yl]-3-oxoprop-1-en-1-yl}-1,8-naphthyridin-2(1H)-one (C23 H19 N3 O3, 385.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
AE6
Formula
C23 H19 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

AE6 in 2 structures; the first of them:

  • 4JX8 · Crystal Structure of E.coli Enoyl Reductase in Complex with NAD and AEA16 · AE6 A301 · binds PHE94, ALA95, PRO96, GLY97, LEU100, TYR146, ILE153, PRO154 and 9 more
  • 4JX8 · Crystal structure of E.COLI enoyl reductase in complex with NAD and AEA16 · AE6 A301 · binds PHE94, ALA95, PRO96, GLY97, LEU100, TYR146, ILE153, PRO154 and 9 more

Residues it binds most

ALA 4, GLY 4, PRO 4, TYR 4, ILE 4, MET 4, LEU 4, PHE 4, ASN 2, SER 2 (residue and the binding sites it lines).

Found with

  • NAD · Nicotinamide-adenine-dinucleotide

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