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Ligand · 052

052 · N-cyclopropyl-2-methyl-4-(7-{[2-(morpholin-4-yl)ethyl]amino}-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzamide

052, N-cyclopropyl-2-methyl-4-(7-{[2-(morpholin-4-yl)ethyl]amino}-5-phenoxypyrazolo[1,5-a]pyrimidin-3-yl)benzamide (C29 H32 N6 O3, 512.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
052
Formula
C29 H32 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

052 in 2 structures; the first of them:

  • 4ZEG · Crystal structure of TTK kinase domain in complex with a pyrazolopyrimidine inhibitor · 052 A809 · binds LYS529, ILE531, GLY532, VAL539, GLN541, ALA551, LYS553, GLU571 and 17 more
  • 4ZEG · Crystal structure of ttk kinase domain in complex with a pyrazolopyrimidine inhibitor · 052 A809 · binds LYS529, ILE531, GLY532, VAL539, GLN541, ALA551, LYS553, GLU571 and 17 more

Residues it binds most

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

Found with

  • EDO · 1,2-ethanediol
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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