GL1X · GenesisL1 explorer

Ligand · 91M

91M · (5S,8R)-16-(2,1,3-benzoxadiazol-4-yl)-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

91M, (5S,8R)-16-(2,1,3-benzoxadiazol-4-yl)-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 (C29 H32 N6 O7 S, 608.7 g/mol)…

Component
91M
Formula
C29 H32 N6 O7 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

91M in 2 structures; the first of them:

  • 7Q6S · Keap1 compound complex · 91M A701 · binds TYR334, SER363, GLY364, ASN382, ARG415, ILE461, GLY462, PHE478 and 15 more
  • 7Q6S · KEAP1 compound complex · 91M A701 · binds TYR334, SER363, GLY364, ASN382, ARG415, ILE461, GLY462, SER508 and 10 more

Residues it binds most

GLY 2, SER 2, TYR 2, ASN 2, ARG 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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