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Ligand · QH8

QH8 · 1-[3-[(4-butylphenyl)sulfonyl-(2-hydroxy-2-oxoethyl) amino]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid

QH8, 1-[3-[(4-butylphenyl)sulfonyl-(2-hydroxy-2-oxoethyl) amino]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid (C25 H27 N3 O6 S, 497.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
QH8
Formula
C25 H27 N3 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

QH8 in 2 structures; the first of them:

  • 6ZF5 · Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein… · QH8 A718 · binds TYR334, SER363, GLY364, ARG380, ASN414, ARG415, ILE461, GLY462 and 9 more
  • 6ZF5 · KEAP1 kelch domain bound to a small molecule inhibitor of the KEAP1- NRF2 protein-protein… · QH8 A718 · binds TYR334, SER363, GLY364, ARG380, ASN414, ARG415, ILE461, GLY462 and 9 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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