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Ligand · L6I

L6I · (3S)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid

L6I, (3S)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid (C28 H30 N4 O6 S, 550.6 g/mol), in the MolNFT structures…

Component
L6I
Formula
C28 H30 N4 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

L6I in 2 structures; the first of them:

  • 5FNU · Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. · L6I A1615 · binds TYR334, SER363, GLY364, ASN382, ARG415, ILE461, GLY462, PHE478 and 11 more
  • 5FNU · Structure of the KEAP1 kelch domain in complex with a small molecule inhibitor. · L6I A1615 · binds TYR334, SER363, GLY364, ASN382, ARG415, ILE461, GLY462, PHE478 and 11 more

Residues it binds most

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

Found with

  • CL · Chloride ion

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