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Ligand · 72X

72X · (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide

72X, (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide (C28 H46 Cl N3 O3, 508.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
72X
Formula
C28 H46 Cl N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

72X in 2 structures; the first of them:

  • 3GW5 · Crystal structure of human renin complexed with a novel inhibitor · 72X A400 · binds THR18, GLN19, TYR20, VAL36, ASP38, GLY40, TYR83, THR85 and 16 more
  • 3GW5 · Crystal structure of human renin complexed with a novel inhibitor · 72X A400 · binds THR18, GLN19, TYR20, VAL36, ASP38, GLY40, TYR83, THR85 and 16 more

Residues it binds most

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

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • GOL · Glycerol

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