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Ligand · 8AP

8AP · N~3~-benzylpyridine-2,3-diamine

8AP, N~3~-benzylpyridine-2,3-diamine (C12 H13 N3, 199.2 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 most and the ligands found…

Component
8AP
Formula
C12 H13 N3
Class
ligand
Structures
2
PDB entries
1

Binding sites

8AP in 2 structures; the first of them:

  • 2OHM · X-ray crystal structure of beta secretase complexed with N~3~-benzylpyridine-2,3-diamine · 8AP A389 · binds LEU30, ASP32, GLY34, SER35, TYR71, PHE108, TRP115, ILE118 and 3 more
  • 2OHM · X-ray crystal structure of beta secretase complexed with N~3~- benzylpyridine-2,3-diamine · 8AP A389 · binds LEU30, ASP32, GLY34, SER35, TYR71, PHE108, TRP115, ILE118 and 3 more

Residues it binds most

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

Found with

  • IOD · Iodide ion
  • DMS · Dimethyl sulfoxide

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