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Ligand · IXS

IXS · N-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)-1-methyl-2-oxoethyl]amino}ethyl]-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide

IXS, N-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)-1-methyl-2-oxoethyl]amino}ethyl]-N'-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methylsulfonyl)amino]isophthalamide (C34 H44 F N5 O5 S, 653.8 g/mol), in the MolNFT structures on GenesisL1…

Component
IXS
Formula
C34 H44 F N5 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

IXS in 2 structures; the first of them:

  • 2QZL · Crystal Structure of human Beta Secretase complexed with IXS · IXS A449 · binds GLY11, GLN12, GLY13, TYR14, LEU30, ASP32, GLY34, SER35 and 24 more
  • 2QZL · Crystal structure of human beta secretase complexed with ixs · IXS A449 · binds GLY11, GLN12, GLY13, TYR14, LEU30, ASP32, GLY34, SER35 and 24 more

Residues it binds most

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

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