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Ligand · 3OR

3OR · 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide

3OR, 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide (C20 H19 F3 I N3 O5, 565.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
3OR
Formula
C20 H19 F3 I N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

3OR in 2 structures; the first of them:

  • 3ORN · Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4987655 and MgAMP-PNP · 3OR A400 · binds GLY79, GLY80, LYS97, ILE99, LEU115, LEU118, VAL127, ILE141 and 14 more
  • 3ORN · Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4987655 and mgamp-pnp · 3OR A400 · binds GLY79, GLY80, LYS97, ILE99, LEU115, LEU118, VAL127, ILE141 and 14 more

Residues it binds most

GLY 2, ILE 2, LEU 2, ASP 2, MET 2, VAL 2, ARG 2, ASN 2, CYS 2, HIS 2 (residue and the binding sites it lines).

Found with

  • ANP · Phosphoaminophosphonic acid-adenylate ester
  • MG · Magnesium ion
  • SO4 · Sulfate ion
  • PGE · Triethylene glycol

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