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Ligand · 43K

43K · (5S)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine

43K, (5S)-7-(2-fluoropyridin-3-yl)-3-(2-fluoropyridin-4-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine (C24 H15 F2 N5 O2, 443.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
43K
Formula
C24 H15 F2 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

43K in 2 structures; the first of them:

  • 4XKX · Crystal structure of BACE1 in complex with 2-aminooxazoline 3-azaxanthene inhibitor 28 · 43K A405 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 14 more
  • 4XKX · Crystal structure of BACE1 in complex with 2-aminooxazoline 3- azaxanthene inhibitor 28 · 43K A405 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 14 more

Residues it binds most

GLY 2, ILE 2, ASP 2, SER 2, THR 2, TRP 2, TYR 2, ARG 2, GLN 2, LEU 2 (residue and the binding sites it lines).

Found with

  • IOD · Iodide ion
  • GOL · Glycerol

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