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Ligand · 5X9

5X9 · 1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]-5-[(1~{R}, 2~{R})-2-(1-methyl-1,2,3-triazol-4-yl) cyclopropyl]pyrazole-4-carboxylic acid

5X9, 1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]-5-[(1~{R}, 2~{R})-2-(1-methyl-1,2,3-triazol-4-yl) cyclopropyl]pyrazole-4-carboxylic acid (C25 H24 N6 O3, 456.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
5X9
Formula
C25 H24 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

5X9 in 2 structures; the first of them:

  • 7P5I · Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction · 5X9 A703 · binds TYR334, SER363, GLY364, ARG415, ILE461, GLY462, PHE478, ARG483 and 10 more
  • 7P5I · Pyrazole carboxylic acid inhibitors of KEAP1:NRF2 interaction · 5X9 A703 · binds TYR334, SER363, GLY364, ARG415, ILE461, GLY462, PHE478, ARG483 and 10 more

Residues it binds most

GLY 2, SER 2, TYR 2, ARG 2, PHE 2, ALA 2, GLN 2, ILE 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion

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