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Ligand · 5RB

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

5RB, 5-[(1~{R},2~{R})-2-(1-methyl-1,2,3-triazol-4-yl) cyclopropyl]-1-[3-[3-[(2~{R})-2-propylpiperidin-1-yl]carbonylphenyl]phenyl]pyrazole-4-carboxylic acid (C31 H34 N6 O3, 538.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
5RB
Formula
C31 H34 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

5RB in 2 structures; the first of them:

  • 7P5P · Pyrazole Carboxylic Acid Inhibitors of KEAP1:NRF2 interaction · 5RB A703 · binds TYR334, SER363, GLY364, ASN382, ARG415, ILE461, GLY462, PHE478 and 11 more
  • 7P5P · Pyrazole carboxylic acid inhibitors of KEAP1:NRF2 interaction · 5RB A703 · binds TYR334, SER363, ARG415, GLY462, PHE478, ARG483, SER508, GLY509 and 7 more

Residues it binds most

SER 2, GLY 2, TYR 2, ARG 2, PHE 2, ALA 2, GLN 2, ASN 1, ILE 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion

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