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Ligand · 9P0

9P0 · 4-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid

9P0, 4-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid (C30 H34 N4 O8 S, 610.7 g/mol), in the MolNFT…

Component
9P0
Formula
C30 H34 N4 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

9P0 in 2 structures; the first of them:

  • 7Q96 · Keap1 compound complex · 9P0 A701 · binds TYR334, SER363, GLY364, ASN382, ARG415, ILE461, GLY462, PHE478 and 14 more
  • 7Q96 · KEAP1 compound complex · 9P0 A701 · binds TYR334, SER363, GLY364, ASN382, ARG415, ILE461, ARG483, SER508 and 8 more

Residues it binds most

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

Found with

  • CL · Chloride ion

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