GL1X · GenesisL1 explorer

Ligand · 92I

92I · (3S,5S,8R)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-3,7,11-tris(oxidanylidene)-10-oxa-3$l^{4}-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide

92I, (3S,5S,8R)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-3,7,11-tris(oxidanylidene)-10-oxa-3$l^{4}-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide (C23 H30 N4 O7 S, 506.6 g/mol), in the MolNFT…

Component
92I
Formula
C23 H30 N4 O7 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

92I in 2 structures; the first of them:

  • 7Q5H · Keap1 compound complex · 92I A701 · binds TYR334, SER363, GLY364, ASN382, ARG415, GLY462, GLY509, SER555 and 7 more
  • 7Q5H · KEAP1 compound complex · 92I A701 · binds TYR334, SER363, GLY364, ASN382, ARG415, GLY509, SER555, ALA556 and 5 more

Residues it binds most

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

Found with

  • CL · Chloride ion

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