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Ligand · 9IB

9IB · 3-[(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

9IB, 3-[(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
9IB
Formula
C30 H34 N4 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

9IB in 2 structures; the first of them:

  • 7Q8R · Keap1 compound complex · 9IB A701 · binds TYR334, SER363, GLY364, ASN382, ARG415, ILE461, GLY462, PHE478 and 15 more
  • 7Q8R · KEAP1 compound complex · 9IB A701 · binds TYR334, SER363, GLY364, ASN382, ARG415, ILE461, PHE478, ARG483 and 11 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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