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Ligand · Y5Y

Y5Y · cyclopropyl[(3S)-3-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]amino}pyrrolidin-1-yl]methanone

Y5Y, cyclopropyl[(3S)-3-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]amino}pyrrolidin-1-yl]methanone (C20 H24 N8 O, 392.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
Y5Y
Formula
C20 H24 N8 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

Y5Y in 2 structures; the first of them:

  • 7LM2 · Human PI3KDELTA in complex with compound 3C · Y5Y A1101 · binds THR750, MET752, ASP753, TRP760, ILE777, LYS779, LEU784, ASP787 and 13 more
  • 7LM2 · Human PI3KDELTA in complex with compound 3C · Y5Y A1101 · binds THR750, MET752, ASP753, TRP760, ILE777, LYS779, LEU784, ASP787 and 13 more

Residues it binds most

ASP 2, ILE 2, MET 2, THR 2, VAL 2, ASN 2, GLU 2, LEU 2, LYS 2, PHE 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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