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Ligand · YFV

YFV · 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-F][1,2, 4]triazin-4-amine

YFV, 5-[(4-aminopiperidin-1-yl)methyl]-N-{3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]phenyl}pyrrolo[2,1-F][1,2, 4]triazin-4-amine (C23 H28 N8 S, 448.6 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (5 PDB entries). Every…

Component
YFV
Formula
C23 H28 N8 S
Class
ligand
Structures
6
PDB entries
5

Binding sites

YFV in 6 structures; the first of them:

  • 7LVH · Crystal structure of AP2 associated kinase 1 isoform 1 complexed with ligand… · YFV B401 · binds LEU52, ALA53, GLU54, GLY55, VAL60, ALA72, LYS74, VAL104 and 10 more
  • 8GMC · CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 COMPLEXED WITH… · YFV A401 · binds LEU52, ALA53, GLU54, GLY55, ALA58, ILE59, VAL60, ALA72 and 12 more
  • 7LVH · Crystal structure of AP2 associated kinase 1 isoform 1 complexed with ligand… · YFV B401 · binds LEU52, ALA53, GLU54, GLY55, VAL60, ALA72, LYS74, VAL104 and 10 more
  • 7LVI · Crystal structure of AP2 associated kinase 1 isoform 1 complexed with ligand… · YFV B401 · binds LEU52, ALA53, GLU54, GLY55, VAL60, ALA72, LYS74, MET126 and 9 more
  • 7RJ6 · Crystal structure of AP2 associated kinase 1 isoform 1 complexed with ligand… · YFV A401 · binds LEU52, ALA53, GLU54, GLY55, ALA58, VAL60, ALA72, LYS74 and 9 more
  • 7RJ8 · Crystal structure of AP2 associated kinase 1 isoform 1 complexed with ligand… · YFV B401 · binds VAL38, GLN45, LEU52, ALA53, GLU54, GLY55, ALA58, VAL60 and 11 more

Residues it binds most

ALA 7, ASP 7, GLU 7, LEU 7, VAL 7, CYS 7, GLN 7, GLY 7, ASN 7, LYS 7 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • YFS · N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide
  • 5OI · (1S)-1-[4-ethyl-6-(1,3-oxazol-5-yl)quinazolin-2-yl]-3-methylbutan-1-amine
  • 5QI · N-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide
  • YFY · (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide
  • PG6 · 1-(2-methoxy-ethoxy)-2-{2-[2-(2-methoxy-ethoxy]-ethoxy}-ethane

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