Ligand · 1R8
1R8 · (3S)-3-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-5-one
1R8, (3S)-3-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-4-azabicyclo[10.3.1]hexadeca-1(16),12,14-trien-5-one (C31 H42 N2 O3, 490.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2…
- Component
- 1R8
- Formula
- C31 H42 N2 O3
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
1R8 in 2 structures; the first of them:
- 4KE0 · Crystal structure of BACE1 in complex with hydroxyethylamine-macrocyclic inhibitor 13 · 1R8 A501 · binds GLY11, GLN12, LEU30, ASP32, GLY34, SER35, VAL69, PRO70 and 17 more
- 4KE0 · Crystal structure of BACE1 in complex with hydroxyethylamine- macrocyclic inhibitor 13 · 1R8 A501 · binds GLY11, GLN12, LEU30, ASP32, GLY34, SER35, VAL69, PRO70 and 17 more
Residues it binds most
ILE 6, GLY 6, THR 6, ASP 6, GLN 6, TYR 6, VAL 6, ARG 6, LEU 6, LYS 6 (residue and the binding sites it lines).
Found with
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