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Ligand · 29Z

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

29Z, (1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (C25 H24 N4 O S, 428.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
29Z
Formula
C25 H24 N4 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

29Z in 2 structures; the first of them:

  • 4MF0 · ITK kinase domain in complex with benzothiazole inhibitor compound 12a… · 29Z A701 · binds LYS387, ALA389, LYS391, VAL419, PHE435, GLU436, PHE437, MET438 and 11 more
  • 4MF0 · Itk kinase domain in complex with benzothiazole inhibitor compound 12A… · 29Z A701 · binds LYS387, ALA389, LYS391, VAL419, PHE435, GLU436, PHE437, MET438 and 11 more

Residues it binds most

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

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