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Ligand · 23I

23I · N-[(1S,2S,4R)-2-hydroxy-1-isobutyl-5-({(1S)-1-[(isopropylamino)carbonyl]-2-methylpropyl}amino)-4-methyl-5-oxopentyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]isophthalamide

23I, N-[(1S,2S,4R)-2-hydroxy-1-isobutyl-5-({(1S)-1-[(isopropylamino)carbonyl]-2-methylpropyl}amino)-4-methyl-5-oxopentyl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]isophthalamide (C36 H55 N5 O7 S, 701.9 g/mol), in the MolNFT…

Component
23I
Formula
C36 H55 N5 O7 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

23I in 2 structures; the first of them:

  • 2P4J · Crystal structure of beta-secretase bond to an inhibitor with Isophthalamide Derivatives… · 23I A501 · binds GLY11, GLN12, GLY13, TYR14, LEU30, ASP32, GLY34, SER35 and 23 more
  • 2P4J · Crystal structure of beta-secretase bond to an inhibitor with isophthalamide derivatives… · 23I A501 · binds GLY11, GLN12, GLY13, TYR14, LEU30, ASP32, GLY34, SER35 and 23 more

Residues it binds most

GLY 8, ILE 8, ARG 8, SER 8, THR 8, TYR 8, ASP 8, GLN 8, ALA 8, ASN 8 (residue and the binding sites it lines).

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