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Ligand · 9IW

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

9IW, 2-[[1-ethoxy-7-[4-(3-fluoranyl-5-methoxy-phenyl) carbonyl-2,6-dimethyl-phenoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid (C30 H27 F N2 O8, 562.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
9IW
Formula
C30 H27 F N2 O8
Class
ligand
Structures
2
PDB entries
1

Binding sites

9IW in 2 structures; the first of them:

  • 7WMO · A novel chemical derivative(92) of THRB agonist · 9IW A501 · binds ASN233, PHE269, PHE272, THR273, ILE275, ILE276, ALA279, ARG282 and 20 more
  • 7WMO · A novel chemical DERIVATIVE(92) of thrb agonist · 9IW A501 · binds PHE269, PHE272, THR273, ILE275, ILE276, ALA279, ARG282, MET310 and 17 more

Residues it binds most

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

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