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Ligand · 4SP

4SP · O6-cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine

4SP, O6-cyclohexylmethoxy-2-(4'-sulphamoylanilino) purine (C18 H22 N6 O3 S, 402.5 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
4SP
Formula
C18 H22 N6 O3 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

4SP in 6 structures; the first of them:

  • 5LQF · CDK1/CyclinB1/CKS2 in complex with NU6102 · 4SP A301 · binds ILE10, GLU12, GLY13, VAL18, ALA31, VAL64, PHE80, GLU81 and 9 more
  • 5M57 · Nek2 bound to arylaminopurine 6 · 4SP A301 · binds GLY15, GLY17, TYR19, CYS22, VAL35, LYS37, VAL68, GLU87 and 6 more
  • 6BSS · JAK2 JH2 in complex with NU6102 · 4SP A902 · binds LEU551, GLY552, ILE559, LEU579, LYS581, VAL610, GLN626, GLU627 and 8 more
  • 5LQF · CDK1/CYCLINB1/CKS2 in complex with NU6102 · 4SP A301 · binds ILE10, GLU12, GLY13, VAL18, ALA31, VAL64, PHE80, GLU81 and 9 more
  • 5M57 · NEK2 bound to arylaminopurine 6 · 4SP A301 · binds GLY15, GLY17, TYR19, CYS22, VAL35, LYS37, VAL68, GLU87 and 6 more
  • 6BSS · JAK2 JH2 in complex with NU6102 · 4SP A902 · binds LEU551, ILE559, LEU579, GLN626, GLU627, PHE628, VAL629, LYS630 and 3 more

Residues it binds most

GLY 8, VAL 8, LEU 6, PHE 8, GLU 8, ASP 6, LYS 8, SER 8, GLN 6, ILE 6 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol

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