GL1X · GenesisL1 explorer

Ligand · 2FS

2FS · (1S,2R)-2-{[(1S)-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid

2FS, (1S,2R)-2-{[(1S)-1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid (C26 H28 N2 O4, 432.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
2FS
Formula
C26 H28 N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

2FS in 2 structures; the first of them:

  • 4N1B · STRUCTURE OF KEAP1 KELCH DOMAIN WITH(1S,2R)-2-[(1S)-1-[(1-oxo-2,3-dihydro-1H-isoindol-2-Yl… · 2FS A701 · binds TYR334, SER363, GLY364, ARG380, ASN382, ASN414, ARG415, GLY462 and 7 more
  • 4N1B · Structure of KEAP1 kelch domain WITH(1S,2R)-2-[(1S)-1-[(1-oxo-2,3… · 2FS A701 · binds TYR334, SER363, GLY364, ARG380, ASN382, ASN414, ARG415, GLY462 and 7 more

Residues it binds most

GLY 6, SER 6, ARG 6, ASN 6, TYR 6, ALA 6, PHE 6 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion

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