GL1X · GenesisL1 explorer

Ligand · 0N1

0N1 · (4S,8E,11R)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione

0N1, (4S,8E,11R)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione (C34 H41 N3 O4, 555.7 g/mol), in the MolNFT structures on GenesisL1…

Component
0N1
Formula
C34 H41 N3 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

0N1 in 2 structures; the first of them:

  • 4DPI · BACE-1 in complex with HEA-macrocyclic inhibitor, MV078512 · 0N1 A501 · binds GLY59, GLN60, GLY61, TYR62, LEU78, ASP80, GLY82, SER83 and 20 more
  • 4DPI · Bace-1 in complex with hea-macrocyclic inhibitor, MV078512 · 0N1 A501 · binds GLY59, GLN60, GLY61, TYR62, LEU78, ASP80, GLY82, SER83 and 20 more

Residues it binds most

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

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