GL1X · GenesisL1 explorer

Ligand · K76

K76 · (2E)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one

K76, (2E)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one (C16 H10 F8 N4 O, 426.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
K76
Formula
C16 H10 F8 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

K76 in 2 structures; the first of them:

  • 4WVF · Crystal structure of KPT276 in complex with CRM1-Ran-RanBP1 · K76 C1101 · binds LEU536, CYS539, VAL540, LYS548, ALA552, ILE555, MET556, VAL559 and 6 more
  • 4WVF · Crystal structure of KPT276 in complex with CRM1-ran-RANBP1 · K76 C1101 · binds LEU536, CYS539, VAL540, LYS548, ALA552, ILE555, MET556, VAL559 and 6 more

Residues it binds most

VAL 2, LEU 2, LYS 2, PHE 2, ALA 2, CYS 2, ILE 2, MET 2, THR 2 (residue and the binding sites it lines).

Found with

  • GNP · Phosphoaminophosphonic acid-guanylate ester
  • MG · Magnesium ion
  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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