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Ligand · 9IT

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

9IT, 2-[[7-[2,6-dimethyl-4-(3-methylphenyl)carbonyl-phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid (C29 H26 N2 O7, 514.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
9IT
Formula
C29 H26 N2 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

9IT in 2 structures; the first of them:

  • 7WMN · A novel chemical derivative(89) of THRB agonist · 9IT A501 · binds ASN233, ALA234, PHE269, PHE272, THR273, ILE275, ILE276, ALA279 and 20 more
  • 7WMN · A novel chemical DERIVATIVE(89) of thrb agonist · 9IT A501 · binds ASN233, PHE269, PHE272, THR273, ILE275, ILE276, ALA279, ARG282 and 18 more

Residues it binds most

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

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