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Ligand · 1BL

1BL · (2R)-5-{[(2S,3R)-4-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]amino}-2-hydroxy-5-oxopentanoic acid

1BL, (2R)-5-{[(2S,3R)-4-{[1-(3-tert-butylphenyl)cyclohexyl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]amino}-2-hydroxy-5-oxopentanoic acid (C31 H42 F2 N2 O5, 560.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
1BL
Formula
C31 H42 F2 N2 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

1BL in 2 structures; the first of them:

  • 4I0H · SPR and structural analysis yield insight towards mechanism of inhibition of BACE… · 1BL A501 · binds GLY17, LEU36, ASP38, GLY40, SER41, VAL75, PRO76, TYR77 and 18 more
  • 4I0H · Spr and structural analysis yield insight towards mechanism of inhibition of bace… · 1BL A501 · binds GLY17, LEU36, ASP38, GLY40, SER41, VAL75, PRO76, TYR77 and 18 more

Residues it binds most

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

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