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Ligand · EN9

EN9 · (2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2, 4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide

EN9, (2R)-2-[(4-chlorophenyl)sulfonyl-[[2-fluoranyl-4-(1,2, 4-oxadiazol-3-yl)phenyl]methyl]amino]-5,5,5-tris(fluoranyl)pentanamide (C20 H17 Cl F4 N4 O4 S, 520.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
EN9
Formula
C20 H17 Cl F4 N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

EN9 in 2 structures; the first of them:

  • 6LQG · Human gamma-secretase in complex with small molecule Avagacestat · EN9 B701 · binds VAL261, LEU268, VAL272, GLN276, LYS380, LEU381, GLY382, LEU418 and 5 more
  • 6LQG · Human gamma-secretase in complex with small molecule avagacestat · EN9 B701 · binds VAL261, LEU268, VAL272, GLN276, LYS380, LEU381, GLY382, LEU418 and 5 more

Residues it binds most

LEU 2, VAL 2, ALA 2, GLN 2, GLY 2, LYS 2, THR 2 (residue and the binding sites it lines).

Found with

  • CLR · Cholesterol
  • PC1 · 1,2-diacyl-sn-glycero-3-phosphocholine
  • BMA · beta-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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