GL1X · GenesisL1 explorer

Ligand · 9IQ

9IQ · 2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid

9IQ, 2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid (C31 H30 N2 O7, 542.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
9IQ
Formula
C31 H30 N2 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

9IQ in 2 structures; the first of them:

  • 7WML · A novel chemical derivative(85) of THRB agonist · 9IQ A501 · binds THR232, ASN233, ALA234, PHE269, PHE272, THR273, ILE275, ILE276 and 23 more
  • 7WML · A novel chemical DERIVATIVE(85) of thrb agonist · 9IQ A501 · binds ASN233, PHE269, PHE272, THR273, ILE275, ILE276, ALA279, ARG282 and 18 more

Residues it binds most

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

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