GL1X · GenesisL1 explorer

Ligand · AAK

AAK · ~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate

AAK, ~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate (C16 H22 N2 O3, 290.4 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 it…

Component
AAK
Formula
C16 H22 N2 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

AAK in 2 structures; the first of them:

  • 5OSJ · Cdk2(WT) with covalent adduct at C177 · AAK A301 · binds CYS177, LYS178, TYR179, TRP227, PRO228, GLY229, SER232, MET233 and 3 more
  • 5OSJ · CDK2(WT) with covalent adduct at C177 · AAK A301 · binds CYS177, LYS178, TRP227, PRO228, GLY229, SER232, MET233, ASP270 and 2 more

Residues it binds most

PRO 2, ASN 2, ASP 2, CYS 2, GLY 2, LYS 2, MET 2, SER 2, TRP 2, TYR 1 (residue and the binding sites it lines).

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