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Ligand · GUC

GUC · N-[3-[(3S)-1-azanyl-5-fluoranyl-3-methyl-4H-2,6-naphthyridin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide

GUC, N-[3-[(3S)-1-azanyl-5-fluoranyl-3-methyl-4H-2,6-naphthyridin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide (C23 H18 F2 N6 O, 432.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
GUC
Formula
C23 H18 F2 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

GUC in 2 structures; the first of them:

  • 7D36 · Crystal Structure of BACE1 in complex with N-{3-[(3S)-1-amino-5-fluoro-3-methyl-3,4-dihydr… · GUC A508 · binds GLY11, GLN12, GLY13, TYR14, LEU30, ASP32, GLY34, SER35 and 12 more
  • 7D36 · Crystal structure of BACE1 in complex with N-{3-[(3S)-1-amino-5… · GUC A508 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, TYR71 and 8 more

Residues it binds most

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

Found with

  • IOD · Iodide ion
  • GOL · Glycerol

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