Ligand · I21
I21 · 2-[(5R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,12,14,17,19-octaen-19-yl]benzonitrile
I21, 2-[(5R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,12,14,17,19-octaen-19-yl]benzonitrile (C34 H27 N3 O3, 525.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…
- Component
- I21
- Formula
- C34 H27 N3 O3
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
I21 in 2 structures; the first of them:
- 2QZK · Crystal structure of human Beta Secretase complexed with I21 · I21 A400 · binds GLY11, GLN12, GLY13, TYR14, LEU30, ASP32, GLY34, SER35 and 17 more
- 2QZK · Crystal structure of human beta secretase complexed with I21 · I21 A400 · binds GLY11, GLN12, GLY13, TYR14, LEU30, ASP32, GLY34, SER35 and 17 more
Residues it binds most
GLY 2, SER 2, THR 2, ARG 2, ASP 2, GLN 2, ILE 2, TYR 2, ALA 2, ASN 2 (residue and the binding sites it lines).
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