GL1X · GenesisL1 explorer

Ligand · 3JR

3JR · (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one

3JR, (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one (C26 H32 Cl2 N2 O8 S, 603.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
3JR
Formula
C26 H32 Cl2 N2 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3JR in 2 structures; the first of them:

  • 4W9P · The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(… · 3JR A201 · binds TYR57, PHE67, ASP68, ARG73, PHE77, GLY84, GLN85, VAL86 and 12 more
  • 4W9P · The FK1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5… · 3JR A201 · binds TYR57, PHE67, ASP68, ARG73, PHE77, GLY84, GLN85, VAL86 and 12 more

Residues it binds most

PHE 4, TYR 4, GLY 4, ILE 4, SER 4, ALA 4, ARG 4, ASP 4, GLN 4, LEU 4 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion

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