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Ligand · B5A

B5A · 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

B5A, 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (C11 H16 N6, 232.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
B5A
Formula
C11 H16 N6
Class
ligand
Structures
4
PDB entries
2

Binding sites

B5A in 4 structures; the first of them:

  • 3UPZ · Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with… · B5A A1 · binds LEU57, GLY58, LYS59, VAL65, ALA78, MET112, GLU129, VAL130 and 5 more
  • 3UQG · c-SRC kinase domain in complex with bumpless BKI analog UW1243 · B5A A1 · binds LEU273, VAL281, ALA293, LYS295, VAL323, THR338, GLU339, TYR340 and 5 more
  • 3UPZ · Calcium-dependent protein kinase 1 from toxoplasma gondii (TGCDPK1) in complex with… · B5A A1 · binds LEU57, GLY58, LYS59, VAL65, ALA78, MET112, GLU129, VAL130 and 5 more
  • 3UQG · C-src kinase domain in complex with bumpless bki analog UW1243 · B5A A1 · binds LEU273, VAL281, ALA293, LYS295, VAL323, THR338, GLU339, TYR340 and 5 more

Residues it binds most

LEU 6, VAL 6, GLU 6, ALA 6, LYS 6, MET 6, TYR 6, ASP 4, SER 4, THR 4 (residue and the binding sites it lines).

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