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Ligand · USV

USV · (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one

USV, (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one (C22 H23 Cl2 N3 O3 S, 480.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry).…

Component
USV
Formula
C22 H23 Cl2 N3 O3 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

USV in 1 structure; the first of them:

  • 8CHL · Human FKBP12 in complex with (1S,5S,6R)-9-((3,5-dichlorophenyl)sulfonyl)-3-(pyridin-2-ylme… · USV A201 · binds TYR26, PHE36, ASP37, PHE46, GLU54, VAL55, ILE56, TRP59 and 9 more

Residues it binds most

PHE 2, ILE 2, TYR 2, HIS 2, ASP 2, GLU 2, LEU 2, TRP 2, VAL 2 (residue and the binding sites it lines).

Found with

  • CD · Cadmium ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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