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Ligand · I76

I76 · 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

I76, 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (C25 H22 Cl N5 O, 443.9 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
I76
Formula
C25 H22 Cl N5 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

I76 in 4 structures; the first of them:

  • 3V51 · Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with… · I76 A701 · binds LEU57, GLY58, LYS59, VAL65, ALA78, LYS80, LEU96, GLU99 and 18 more
  • 4DGG · c-SRC kinase domain in complex with RM-1-176 · I76 A601 · binds LEU273, GLY274, VAL281, ALA293, LYS295, PHE307, GLU310, ALA311 and 12 more
  • 3V51 · Calcium-dependent protein kinase 1 from toxoplasma gondii (TGCDPK1) in complex with… · I76 A701 · binds LEU57, GLY58, LYS59, VAL65, ALA78, LYS80, LEU96, GLU99 and 18 more
  • 4DGG · C-src kinase domain in complex with rm-1-176 · I76 A601 · binds LEU273, GLY274, VAL281, ALA293, LYS295, PHE307, GLU310, ALA311 and 12 more

Residues it binds most

LEU 6, GLY 6, VAL 6, ALA 6, GLU 6, MET 6, LYS 6, PHE 6, ASP 6, ILE 6 (residue and the binding sites it lines).

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