GL1X · GenesisL1 explorer

Ligand · Q9E

Q9E · (5S,8R)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide

Q9E, (5S,8R)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide (C23 H30 N4 O6 S, 490.6 g/mol), in the MolNFT structures on…

Component
Q9E
Formula
C23 H30 N4 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

Q9E in 2 structures; the first of them:

  • 6Z6A · Keap1 macrocycle complex · Q9E A701 · binds TYR334, SER363, GLY364, ASN382, ARG415, GLY462, GLY509, SER555 and 9 more
  • 6Z6A · KEAP1 macrocycle complex · Q9E A701 · binds TYR334, SER363, GLY364, ASN382, ARG415, GLY509, ALA556, TYR572 and 4 more

Residues it binds most

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

Found with

  • NA · Sodium ion
  • CL · Chloride ion

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