GL1X · GenesisL1 explorer

Ligand · 1QT

1QT · (3S)-3-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-5-one

1QT, (3S)-3-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-5-one (C32 H44 N2 O3, 504.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
1QT
Formula
C32 H44 N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

1QT in 2 structures; the first of them:

  • 4K8S · Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency… · 1QT A401 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 18 more
  • 4K8S · Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency… · 1QT A401 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 18 more

Residues it binds most

GLY 6, ILE 6, THR 6, ASP 6, GLN 6, TYR 6, VAL 6, LEU 6, LYS 6, PHE 6 (residue and the binding sites it lines).

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