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Ligand · YET

YET · 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine

YET, 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine (C23 H28 N6 O3, 436.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
YET
Formula
C23 H28 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

YET in 2 structures; the first of them:

  • 3HPT · Crystal structure of human FxA in complex with… · YET B1 · binds GLU97, THR98, TYR99, GLU147, PHE174, ASP189, ALA190, CYS191 and 11 more
  • 3HPT · Crystal structure of human fxa in complex with (S)-2-cyano-1-(2… · YET B1 · binds GLU97, THR98, TYR99, GLU147, PHE174, ASP189, ALA190, CYS191 and 11 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • NA · Sodium ion
  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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