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Ligand · 5BG

5BG · {3-[(1R)-1-[({(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid

5BG, {3-[(1R)-1-[({(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid (C42 H54 N2 O10, 746.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
5BG
Formula
C42 H54 N2 O10
Class
ligand
Structures
2
PDB entries
1

Binding sites

5BG in 2 structures; the first of them:

  • 5DIU · The Fk1 domain of FKBP51 in complex with the new synthetic ligand… · 5BG A201 · binds TYR57, GLY59, LYS60, LEU61, LYS66, ASP68, PHE77, VAL78 and 12 more
  • 5DIU · The FK1 domain of FKBP51 in complex with the new synthetic ligand 2… · 5BG A201 · binds TYR57, GLY59, LYS60, LEU61, LYS66, ASP68, PHE77, VAL78 and 12 more

Residues it binds most

LYS 2, GLY 2, ILE 2, LEU 2, PHE 2, TYR 2, VAL 2, ALA 2, ASP 2, GLN 2 (residue and the binding sites it lines).

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