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Ligand · D5P

D5P · 5-(2-amino-1-ethyl)thio-3-cyclobutyl-7-[4-(pyrazol-1-yl)benzyl]amino-1(2)H-pyrazolo[4,3-d]pyrimidine

D5P, 5-(2-amino-1-ethyl)thio-3-cyclobutyl-7-[4-(pyrazol-1-yl)benzyl]amino-1(2)H-pyrazolo[4,3-d]pyrimidine (C21 H24 N8 S, 420.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
D5P
Formula
C21 H24 N8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

D5P in 2 structures; the first of them:

  • 7QHL · Crystal structure of Cyclin-dependent kinase 2/cyclin A in complex with 3,5,7-Substituted… · D5P A301 · binds GLU8, LYS9, ILE10, GLY11, VAL18, ALA31, LYS33, VAL64 and 10 more
  • 7QHL · Crystal structure of cyclin-dependent kinase 2/CYCLIN a in complex with 3,5,7-substituted… · D5P A301 · binds GLU8, LYS9, ILE10, GLY11, VAL18, ALA31, LYS33, VAL64 and 10 more

Residues it binds most

ALA 4, GLN 4, GLU 4, LEU 4, LYS 4, PHE 4, VAL 4, ASP 4, GLY 4, HIS 4 (residue and the binding sites it lines).

Found with

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

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