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Ligand · 22X

22X · (3R)-3-[(1S)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide

22X, (3R)-3-[(1S)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide (C28 H45 Cl N4 O3, 521.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
22X
Formula
C28 H45 Cl N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

22X in 2 structures; the first of them:

  • 3KM4 · Optimization of Orally Bioavailable Alkyl Amine Renin Inhibitors · 22X A400 · binds THR18, GLN19, TYR20, VAL36, ASP38, GLY40, SER41, TYR83 and 16 more
  • 3KM4 · Optimization of orally bioavailable alkyl amine renin inhibitors · 22X A400 · binds THR18, GLN19, TYR20, VAL36, ASP38, GLY40, SER41, TYR83 and 16 more

Residues it binds most

THR 8, PHE 8, SER 8, ALA 8, LEU 8, TYR 8, ASP 8, MET 8, GLY 4, VAL 4 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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