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Ligand · 4DN

4DN · 3-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1H-indazol-4-yl)amino]propan-1-ol

4DN, 3-[{2-[(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)amino]pyrimidin-4-yl}(1H-indazol-4-yl)amino]propan-1-ol (C21 H21 N7 O3 S, 451.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
4DN
Formula
C21 H21 N7 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

4DN in 2 structures; the first of them:

  • 4YJS · The kinase domain of human spleen tyrosine (syk) in complex with GTC000226 · 4DN A701 · binds LEU377, VAL385, ALA400, VAL401, LYS402, GLU420, MET424, VAL433 and 12 more
  • 4YJS · The kinase domain of human spleen tyrosine (syk) in complex with GTC000226 · 4DN A701 · binds LEU377, VAL385, ALA400, VAL401, LYS402, GLU420, MET424, VAL433 and 12 more

Residues it binds most

LEU 2, GLU 2, MET 2, VAL 2, ALA 2, ASP 2, GLY 2, LYS 2, PRO 2, SER 2 (residue and the binding sites it lines).

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