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Ligand · 29Y

29Y · (1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

29Y, (1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (C23 H23 N5 O S, 417.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
29Y
Formula
C23 H23 N5 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

29Y in 2 structures; the first of them:

  • 4MF1 · ITK kinase domain in complex with benzothiazole inhibitor 12b… · 29Y A701 · binds ILE369, VAL377, LYS387, ALA389, LYS391, PHE435, GLU436, PHE437 and 7 more
  • 4MF1 · Itk kinase domain in complex with benzothiazole inhibitor 12B (1S,2S)… · 29Y A701 · binds ILE369, VAL377, LYS387, ALA389, LYS391, PHE435, GLU436, PHE437 and 7 more

Residues it binds most

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

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