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Ligand · QHW

QHW · 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid

QHW, 5-cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]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…

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

Binding sites

QHW in 2 structures; the first of them:

  • 6ZF4 · Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein… · QHW A719 · binds TYR334, SER363, GLY364, ARG380, ASN382, ASN414, ARG415, ILE461 and 12 more
  • 6ZF4 · KEAP1 kelch domain bound to a small molecule inhibitor of the KEAP1- NRF2 protein-protein… · QHW A719 · binds TYR334, SER363, GLY364, ARG380, ASN382, ASN414, ARG415, ILE461 and 12 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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