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Ligand · QH2

QH2 · 1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl) amino]phenyl]-5-[(1~{S},2~{S})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid

QH2, 1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl) amino]phenyl]-5-[(1~{S},2~{S})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid (C27 H23 N3 O6 S, 517.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
QH2
Formula
C27 H23 N3 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

QH2 in 2 structures; the first of them:

  • 6ZF6 · Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein… · QH2 A719 · binds TYR334, SER363, GLY364, ARG380, ASN414, ARG415, ILE461, GLY462 and 10 more
  • 6ZF6 · KEAP1 kelch domain bound to a small molecule inhibitor of the KEAP1- NRF2 protein-protein… · QH2 A719 · binds TYR334, SER363, GLY364, ARG380, ASN414, ARG415, ILE461, GLY462 and 10 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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