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Ligand · GCI

GCI · N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-morpholin-4-yl-propanamide

GCI, N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-morpholin-4-yl-propanamide (C34 H38 N6 O9 S2, 738.8 g/mol), in the MolNFT structures on…

Component
GCI
Formula
C34 H38 N6 O9 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

GCI in 2 structures; the first of them:

  • 7XM5 · Keap1 Kelch domain (residues 322-609) in complex with 6i · GCI A701 · binds TYR334, ARG336, SER363, GLY364, ARG380, ASN414, ARG415, ILE461 and 13 more
  • 7XM5 · KEAP1 kelch domain (residues 322-609) in complex with 6I · GCI A701 · binds TYR334, ARG336, SER363, GLY364, ARG380, ASN414, ARG415, ILE461 and 12 more

Residues it binds most

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

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