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Ligand · UUI

UUI · (1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one

UUI, (1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one (C22 H24 Cl2 N4 O2 S, 479.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB…

Component
UUI
Formula
C22 H24 Cl2 N4 O2 S
Class
ligand
Structures
3
PDB entries
3

Binding sites

UUI in 3 structures; the first of them:

  • 8CHK · Human FKBP12 in complex with (1S,5S,6R)-10-((S)-(3,5-dichlorophenyl)sulfonimidoyl)-3-(pyri… · UUI A201 · binds TYR26, PHE36, ASP37, ARG42, PHE46, GLU54, VAL55, ILE56 and 6 more
  • 8CHN · The FK1 domain of FKBP51 in complex with (1S,5S,6R)-10-((S)-(3,5-dichlorophenyl)sulfonimid… · UUI A201 · binds TYR47, PHE57, ASP58, ARG63, PHE67, GLN75, VAL76, ILE77 and 6 more
  • 8CHR · The FK1 domain of FKBP51 in complex with (1S,5S,6R)-10-((R)-(3,5-dichlorophenyl)sulfonimid… · UUI A201 · binds TYR47, PHE57, ASP58, ARG63, PHE67, GLN75, VAL76, ILE77 and 6 more

Residues it binds most

PHE 5, ILE 5, TYR 5, ASP 5, TRP 5, VAL 5, ARG 3, GLU 3, HIS 3, LEU 3 (residue and the binding sites it lines).

Found with

  • MES · 2-(N-morpholino)-ethanesulfonic acid

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