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Ligand · 5RQ

5RQ · 1-[3-[(1~{R},3~{S})-3-[(2~{R})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid

5RQ, 1-[3-[(1~{R},3~{S})-3-[(2~{R})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid (C28 H37 N3 O3, 463.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
5RQ
Formula
C28 H37 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

5RQ in 2 structures; the first of them:

  • 7P5N · Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction · 5RQ A702 · binds TYR334, SER363, GLY364, ASN382, ARG415, ILE461, GLY462, PHE478 and 10 more
  • 7P5N · Pyrazole carboxylic acid inhibitors of KEAP1:NRF2 interaction · 5RQ A702 · binds TYR334, SER363, GLY364, ASN382, ARG415, ILE461, GLY462, PHE478 and 10 more

Residues it binds most

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

Found with

  • CL · Chloride ion

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