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Ligand · G9L

G9L · 8-fluoro-2-(3-piperidin-1-ylpropanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6(2H)-one

G9L, 8-fluoro-2-(3-piperidin-1-ylpropanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6(2H)-one (C20 H24 F N3 O2, 357.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
G9L
Formula
C20 H24 F N3 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

G9L in 4 structures; the first of them:

  • 3KI6 · Catalytic fragment of Cholix toxin from Vibrio Cholerae in complex with inhibitor GP-L · G9L A1 · binds TYR459, HIS460, GLY461, ASN485, GLU486, TRP489, GLY490, TYR493 and 7 more
  • 4FXQ · Full-length Certhrax toxin from Bacillus cereus in complex with Inhibitor P6 · G9L A501 · binds THR280, GLY281, TYR284, ASP285, TYR340, ARG341, ARG342, SER387 and 5 more
  • 3KI6 · Catalytic fragment of cholix toxin from vibrio cholerae in complex with inhibitor gp-L · G9L A1 · binds TYR459, HIS460, GLY461, ASN485, GLU486, TRP489, GLY490, TYR493 and 7 more
  • 4FXQ · Full-length certhrax toxin from bacillus cereus in complex with inhibitor P6 · G9L A501 · binds THR280, GLY281, TYR284, ASP285, TYR340, ARG341, ARG342, SER387 and 5 more

Residues it binds most

TYR 6, ARG 4, GLU 6, GLY 6, SER 4, THR 4, ASP 6, ALA 2, GLN 4, VAL 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • CL · Chloride ion

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