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Ligand · 5QI

5QI · N-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide

5QI, N-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide (C16 H19 F2 N3 O3, 339.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues…

Component
5QI
Formula
C16 H19 F2 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

5QI in 2 structures; the first of them:

  • 7RJ8 · Crystal structure of AP2 associated kinase 1 isoform 1 complexed with ligand… · 5QI A401 · binds LEU52, ALA53, GLU54, GLY55, ALA58, VAL60, ALA72, LYS74 and 10 more
  • 7RJ8 · Crystal structure of AP2 associated kinase 1 isoform 1 complexed with ligand… · 5QI A401 · binds LEU52, ALA53, GLU54, GLY55, ALA58, VAL60, ALA72, LYS74 and 9 more

Residues it binds most

ALA 2, ASP 2, CYS 2, LEU 2, VAL 2, ASN 2, GLN 2, GLU 2, GLY 2, LYS 2 (residue and the binding sites it lines).

Found with

  • 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
  • SO4 · Sulfate ion
  • PG6 · 1-(2-methoxy-ethoxy)-2-{2-[2-(2-methoxy-ethoxy]-ethoxy}-ethane

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