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Ligand · 8IP

8IP · N~3~-(3-pyridin-3-ylbenzyl)pyridine-2,3-diamine

8IP, N~3~-(3-pyridin-3-ylbenzyl)pyridine-2,3-diamine (C17 H16 N4, 276.3 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…

Component
8IP
Formula
C17 H16 N4
Class
ligand
Structures
2
PDB entries
1

Binding sites

8IP in 2 structures; the first of them:

  • 2OHR · X-ray crystal structure of beta secretase complexed with compound 6a · 8IP A504 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, TYR71, PHE108 and 7 more
  • 2OHR · X-ray crystal structure of beta secretase complexed with compound 6A · 8IP A504 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, TYR71, PHE108 and 7 more

Residues it binds most

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

Found with

  • IOD · Iodide ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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