GL1X · GenesisL1 explorer

Ligand · 3JQ

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

3JQ, (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1R)-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
3JQ
Formula
C26 H32 Cl2 N2 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3JQ in 2 structures; the first of them:

  • 4W9O · The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(… · 3JQ A201 · binds TYR57, PHE67, ASP68, PHE77, GLY84, GLN85, VAL86, ILE87 and 11 more
  • 4W9O · The FK1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5… · 3JQ A201 · binds TYR57, PHE67, ASP68, PHE77, GLY84, GLN85, VAL86, ILE87 and 11 more

Residues it binds most

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

Found with

  • ACT · Acetate ion

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