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Ligand · ABJ

ABJ · 3-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenol

ABJ, 3-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenol (C14 H15 N5 O, 269.3 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…

Component
ABJ
Formula
C14 H15 N5 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

ABJ in 4 structures; the first of them:

  • 2V4L · complex of human phosphoinositide 3-kinase catalytic subunit gamma (p110 gamma) with… · ABJ A2093 · binds TRP812, ILE831, LYS833, TYR867, ILE879, GLU880, ILE881, VAL882 and 4 more
  • 3EN7 · Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with… · ABJ A1 · binds LEU273, GLY274, VAL281, ALA293, LYS295, ILE336, THR338, GLU339 and 7 more
  • 2V4L · Complex of human phosphoinositide 3-kinase catalytic subunit gamma (P110 gamma) with… · ABJ A2093 · binds TRP812, ILE831, LYS833, TYR867, ILE879, GLU880, ILE881, VAL882 and 4 more
  • 3EN7 · Targeted polypharmacology: crystal structure of the C-src kinase domain in complex with… · ABJ A1 · binds LEU273, GLY274, VAL281, ALA293, LYS295, ILE336, THR338, GLU339 and 7 more

Residues it binds most

ILE 4, ALA 2, ASP 4, GLU 4, GLY 2, LEU 2, LYS 4, MET 4, THR 4, TYR 4 (residue and the binding sites it lines).

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