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Ligand · 13J

13J · 3-{4-amino-1-[(3S)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide

13J, 3-{4-amino-1-[(3S)-1-propanoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide (C29 H33 N7 O2, 511.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
13J
Formula
C29 H33 N7 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

13J in 2 structures; the first of them:

  • 4HCV · Crystal structure of ITK in complex with compound 53 · 13J A701 · binds ILE369, GLY370, PHE374, VAL377, ALA389, LYS391, ILE393, ALA397 and 18 more
  • 4HCV · Crystal structure of itk in complex with compound 53 · 13J A701 · binds ILE369, GLY370, PHE374, VAL377, ALA389, LYS391, ILE393, ALA397 and 18 more

Residues it binds most

PHE 2, MET 2, VAL 2, ALA 2, ASP 2, GLY 2, ILE 2, LEU 2, SER 2, ARG 2 (residue and the binding sites it lines).

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