Ligand · I03
I03 · (2S)-2-amino-2-benzyl-3-hydroxypropyl 3-({[(1R)-1-(4-fluorophenyl)ethyl]amino}carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate
I03, (2S)-2-amino-2-benzyl-3-hydroxypropyl 3-({[(1R)-1-(4-fluorophenyl)ethyl]amino}carbonyl)-5-[methyl(methylsulfonyl)amino]benzoate (C28 H32 F N3 O6 S, 557.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…
- Component
- I03
- Formula
- C28 H32 F N3 O6 S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
I03 in 2 structures; the first of them:
- 2IS0 · Crystal structure of human Beta-secretase complexed with inhibitor · I03 A386 · binds GLY11, GLN12, GLY13, TYR14, LEU30, ASP32, GLY34, SER35 and 19 more
- 2IS0 · Crystal structure of human beta-secretase complexed with inhibitor · I03 A386 · binds GLY11, GLN12, GLY13, TYR14, LEU30, ASP32, GLY34, SER35 and 19 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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