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Ligand · PO5

PO5 · (2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol

PO5, (2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol (C25 H30 N8 O3, 490.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
PO5
Formula
C25 H30 N8 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

PO5 in 2 structures; the first of them:

  • 3EID · CDK2/CyclinA complexed with a pyrazolopyridazine inhibitor · PO5 A299 · binds ILE10, GLU12, GLY13, VAL18, ALA31, LYS33, GLU51, VAL64 and 9 more
  • 3EID · CDK2/CYCLINA complexed with a pyrazolopyridazine inhibitor · PO5 A299 · binds ILE10, GLU12, GLY13, VAL18, ALA31, LYS33, GLU51, VAL64 and 9 more

Residues it binds most

GLU 2, ASP 2, LEU 2, LYS 2, PHE 2, VAL 2, ALA 2, GLY 2, HIS 2, ILE 2 (residue and the binding sites it lines).

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