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Ligand · K85

K85 · Propan-2-yl 3-{3-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}propanoate

K85, Propan-2-yl 3-{3-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}propanoate (C16 H18 F3 N3 O3, 357.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues…

Component
K85
Formula
C16 H18 F3 N3 O3
Class
ligand
Structures
2
PDB entries
2

Binding sites

K85 in 2 structures; the first of them:

  • 6XJP · Crystal structure of kpt-185 bound to CRM1 (537-dltvk-541 to glceq) · K85 C1101 · binds LEU536, CYS539, LYS548, ALA552, ILE555, MET556, VAL559, PHE572 and 6 more
  • 6XJR · Crystal structure of kpt-185 bound to CRM1 (E582K, 537-dltvk-541 to glceq) · K85 C1101 · binds LEU536, CYS539, LYS548, ALA552, ILE555, MET556, VAL559, PHE572 and 6 more

Residues it binds most

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

Found with

  • GNP · Phosphoaminophosphonic acid-guanylate ester
  • MG · Magnesium ion

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