GL1X · GenesisL1 explorer

Ligand · AE8

AE8 · (S)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4H-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5H)-one

AE8, (S)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4H-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5H)-one (C24 H26 F N5 O4, 467.5 g/mol), in the MolNFT structures on GenesisL1…

Component
AE8
Formula
C24 H26 F N5 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

AE8 in 2 structures; the first of them:

  • 4BUL · Novel hydroxyl tricyclics (e.g. GSK966587) as potent inhibitors of bacterial type IIA… · AE8 F1020 · binds ALA1068, GLY1072, MET1075, ASP1083, MET1121, ALA1068, GLY1072, MET1075 and 10 more
  • 4BUL · Novel hydroxyl tricyclics (E.G. GSK966587) as potent inhibitors of bacterial type iia… · AE8 F1020 · binds ALA1068, GLY1072, MET1075, ASP1083, MET1121, ALA1068, GLY1072, MET1075 and 10 more

Residues it binds most

DA 2, DT 2, MET 2, ALA 2, ASP 2, GLY 2 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion

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