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Ligand · 35D

35D · 1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone

35D, 1-[4-(3-{[1-(quinolin-2-yl)azetidin-3-yl]oxy}quinoxalin-2-yl)piperidin-1-yl]ethanone (C27 H27 N5 O2, 453.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
35D
Formula
C27 H27 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

35D in 2 structures; the first of them:

  • 4TPP · 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors · 35D A1011 · binds TYR514, LEU625, LEU665, SER667, VAL668, ILE682, TYR683, PHE686 and 8 more
  • 4TPP · 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors · 35D A1011 · binds TYR514, LEU625, LEU665, SER667, VAL668, ILE682, TYR683, PHE686 and 8 more

Residues it binds most

LEU 4, PHE 4, TYR 4, VAL 4, GLN 4, GLU 4, GLY 4, ILE 4, LYS 4, MET 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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