Ligand · 1R6
1R6 · (12S)-12-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-1,13-diazatricyclo[13.3.1.1~6,10~]icosa-6(20),7,9,15(19),16-pentaene-14,18-dione
1R6, (12S)-12-[(1R)-2-{[(4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclobutan]-4-yl]amino}-1-hydroxyethyl]-1,13-diazatricyclo[13.3.1.1~6,10~]icosa-6(20),7,9,15(19),16-pentaene-14,18-dione (C34 H41 N3 O4, 555.7 g/mol), in the MolNFT…
- Component
- 1R6
- Formula
- C34 H41 N3 O4
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
1R6 in 2 structures; the first of them:
- 4KE1 · Crystal structure of BACE1 in complex with hydroxyethylamine-macrocyclic inhibitor 19 · 1R6 A404 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 20 more
- 4KE1 · Crystal structure of BACE1 in complex with hydroxyethylamine- macrocyclic inhibitor 19 · 1R6 A404 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 20 more
Residues it binds most
GLY 2, ILE 2, THR 2, ARG 2, ASP 2, GLN 2, TYR 2, VAL 2, LEU 2, LYS 2 (residue and the binding sites it lines).
Found with
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