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Ligand · 3IP

3IP · 3-(benzyloxy)pyridin-2-amine

3IP, 3-(benzyloxy)pyridin-2-amine (C12 H12 N2 O, 200.2 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
3IP
Formula
C12 H12 N2 O
Class
ligand
Structures
5
PDB entries
3

Binding sites

3IP in 5 structures; the first of them:

  • 1W7H · p38 Kinase crystal structure in complex with small molecule inhibitor · 3IP A1355 · binds VAL30, TYR35, VAL38, ALA51, LYS53, GLU71, LEU75, LEU104 and 5 more
  • 3FTY · Leukotriene A4 hydrolase in complex with fragment 3-(benzyloxy)pyridin-2-amine · 3IP A710 · binds GLN136, ALA137, TYR267, TRP311, PHE314, VAL367, LEU369, PRO374 and 4 more
  • 8QUL · Hexameric HIV-1 CA in complex with DDD00100555 · 3IP A301 · binds ASN53, LEU56, ASN57, MET66, LEU69, LYS70, ILE73, ASN74 and 2 more
  • 1W7H · P38 kinase crystal structure in complex with small molecule inhibitor · 3IP A1355 · binds VAL30, TYR35, VAL38, ALA51, LYS53, GLU71, LEU75, LEU104 and 5 more
  • 3FTY · Leukotriene A4 hydrolase in complex with fragment 3-(benzyloxy) pyridin-2-amine · 3IP A710 · binds GLN136, ALA137, TYR267, TRP311, PHE314, VAL367, LEU369, PRO374 and 4 more

Residues it binds most

LEU 5, VAL 4, TYR 5, ALA 4, PRO 2, ASN 1, LYS 3, MET 3, THR 3, ASP 2 (residue and the binding sites it lines).

Found with

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

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