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Ligand · 3LN

3LN · (4S)-2'-(2,2-dimethylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine

3LN, (4S)-2'-(2,2-dimethylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine (C24 H24 N4 O3, 416.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
3LN
Formula
C24 H24 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

3LN in 2 structures; the first of them:

  • 4RCE · Crystal structure of BACE1 in complex with aminooxazoline xanthene inhibitor 2 · 3LN A501 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 13 more
  • 4RCE · Crystal structure of BACE1 in complex with aminooxazoline xanthene inhibitor 2 · 3LN A501 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 13 more

Residues it binds most

GLY 2, ILE 2, ASP 2, THR 2, TRP 2, TYR 2, ARG 2, GLN 2, LEU 2, PHE 2 (residue and the binding sites it lines).

Found with

  • IOD · Iodide ion

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