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Ligand · APJ

APJ · N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine

APJ, N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine (C17 H16 N8, 332.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5…

Component
APJ
Formula
C17 H16 N8
Class
ligand
Structures
4
PDB entries
2

Binding sites

APJ in 4 structures; the first of them:

  • 3FBV · Crystal structure of the oligomer formed by the kinase-ribonuclease domain of Ire1 · APJ A1999 · binds LEU680, GLY681, TYR682, VAL689, ALA700, LYS702, LEU745, GLU746 and 10 more
  • 3SDJ · Structure of RNase-inactive point mutant of oligomeric kinase/RNase Ire1 · APJ A1999 · binds LEU680, GLY681, TYR682, VAL689, ALA700, LYS702, LEU745, GLU746 and 9 more
  • 3FBV · Crystal structure of the oligomer formed by the kinase-ribonuclease domain of IRE1 · APJ A1999 · binds LEU680, GLY681, TYR682, VAL689, ALA700, LYS702, LEU745, GLU746 and 10 more

Residues it binds most

LEU 56, ASP 56, ASN 56, ALA 56, CYS 56, GLN 56, GLU 56, GLY 56, LYS 56, SER 56 (residue and the binding sites it lines).

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