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Ligand · 52D

52D · pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone

52D, pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone (C18 H20 N2 O2, 296.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
52D
Formula
C18 H20 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

52D in 2 structures; the first of them:

  • 3FUL · Leukotriene A4 hydrolase in complex with pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]me… · 52D A710 · binds GLN134, GLN136, ALA137, TYR267, GLY269, MET270, TRP311, PHE314 and 8 more
  • 3FUL · Leukotriene A4 hydrolase in complex with pyridin-4-YL[4-(2-pyrrolidin… · 52D A710 · binds GLN134, GLN136, ALA137, TYR267, GLY269, MET270, TRP311, PHE314 and 8 more

Residues it binds most

TYR 2, ALA 2, GLN 2, PRO 2, ASP 2, GLY 2, LEU 2, MET 2, PHE 2, TRP 2 (residue and the binding sites it lines).

Found with

  • YB · Ytterbium (III) ion
  • ZN · Zinc ion
  • IMD · Imidazole

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