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Ligand · 7EK

7EK · 5-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-1-phenyl-1H-1, 2,3-triazole-4-carboxamide

7EK, 5-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-1-phenyl-1H-1, 2,3-triazole-4-carboxamide (C28 H42 N6 O4, 526.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
7EK
Formula
C28 H42 N6 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

7EK in 2 structures; the first of them:

  • 5TMG · Optimization of 3,5-Disubstitued Piperidine: Discovery of Non-Peptide mimetics as an… · 7EK A402 · binds THR18, GLN19, TYR20, VAL36, ASP38, GLY40, SER41, TYR83 and 19 more
  • 5TMG · Optimization of 3,5-disubstitued piperidine: discovery of non-peptide mimetics as an… · 7EK A402 · binds THR18, GLN19, TYR20, VAL36, ASP38, GLY40, TYR83, SER84 and 16 more

Residues it binds most

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

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • DMS · Dimethyl sulfoxide
  • PEG · Di(hydroxyethyl)ether
  • PGE · Triethylene glycol

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