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Ligand · 13L

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

13L, 3-{4-amino-1-[(3R)-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
13L
Formula
C29 H33 N7 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

13L in 2 structures; the first of them:

  • 4HCU · Crystal structure of ITK in complext with compound 40 · 13L A701 · binds ILE369, GLY370, SER371, PHE374, VAL377, ALA389, LYS391, ILE393 and 17 more
  • 4HCU · Crystal structure of itk in complext with compound 40 · 13L A701 · binds ILE369, GLY370, SER371, PHE374, VAL377, ALA389, LYS391, ILE393 and 17 more

Residues it binds most

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

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