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Ligand · GX6

GX6 · N-[3-[(9S)-7-azanyl-2,2-bis(fluoranyl)-9-prop-1-ynyl-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide

GX6, N-[3-[(9S)-7-azanyl-2,2-bis(fluoranyl)-9-prop-1-ynyl-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide (C23 H18 F3 N5 O2, 453.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2…

Component
GX6
Formula
C23 H18 F3 N5 O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

GX6 in 2 structures; the first of them:

  • 7D5A · Crystal structure of BACE1 in complex with N-{3-[(9S)-7-amino-2,2… · GX6 A504 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, TYR71 and 11 more
  • 7D5U · BACE2 xaperone complex with N-{3-[(9S)-7-amino-2,2-difluoro-9-(prop-1… · GX6 A401 · binds ASP25, SER26, GLY27, GLY29, TYR30, LEU46, ASP48, GLY50 and 13 more

Residues it binds most

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

Found with

  • IOD · Iodide ion
  • GOL · Glycerol

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