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Ligand · BF5

BF5 · (3S)-10-(4-aminopiperazin-1-yl)-9-fluoro-7-hydroxy-3-methyl-2,3-dihydro-8H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate

BF5, (3S)-10-(4-aminopiperazin-1-yl)-9-fluoro-7-hydroxy-3-methyl-2,3-dihydro-8H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate (C17 H19 F N4 O4, 362.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
BF5
Formula
C17 H19 F N4 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

BF5 in 2 structures; the first of them:

  • 2XH1 · Crystal structure of human KAT II-inhibitor complex · BF5 A1426 · binds TYR142, LYS263, GLY39, LEU40, TYR74, SER75, PRO76, SER77 and 2 more
  • 2XH1 · Crystal structure of human kat II-inhibitor complex · BF5 A1426 · binds TYR142, LYS263, GLY39, LEU40, TYR74, SER75, PRO76, SER77 and 2 more

Residues it binds most

LEU 4, SER 4, TYR 4, GLY 4, HIS 4, LYS 4, PRO 4, ASN 2, GLN 2 (residue and the binding sites it lines).

Found with

  • PLP · Pyridoxal-5'-phosphate
  • IOD · Iodide ion
  • GOL · Glycerol

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