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Ligand · 9IL

9IL · 2-[[7-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid

9IL, 2-[[7-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid (C28 H24 N2 O7, 500.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
9IL
Formula
C28 H24 N2 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

9IL in 2 structures; the first of them:

  • 7WMJ · A novel chemical derivative(71) of THRB agonist · 9IL A501 · binds ASN233, ALA234, PHE269, PHE272, ILE275, ILE276, ALA279, ARG282 and 20 more
  • 7WMJ · A novel chemical DERIVATIVE(71) of thrb agonist · 9IL A501 · binds ASN233, ALA234, PHE269, PHE272, ILE275, ILE276, ALA279, ARG282 and 18 more

Residues it binds most

PHE 2, ARG 2, ALA 2, ILE 2, MET 2, GLY 2, ASN 2, LEU 2, HIS 2, SER 2 (residue and the binding sites it lines).

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