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Ligand · BK7

BK7 · 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

BK7, 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (C23 H26 N6 O, 402.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues…

Component
BK7
Formula
C23 H26 N6 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

BK7 in 4 structures; the first of them:

  • 3SX9 · Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with… · BK7 A701 · binds LEU57, GLY58, VAL65, ALA78, LYS80, LEU103, MET112, LEU114 and 13 more
  • 4MXA · CDPK1 from Neospora caninum in complex with inhibitor RM-1-132 · BK7 A601 · binds LEU56, GLY57, LYS58, GLY59, VAL64, ALA77, LYS79, LEU102 and 14 more
  • 3SX9 · Calcium-dependent protein kinase 1 from toxoplasma gondii (TGCDPK1) in complex with… · BK7 A701 · binds LEU57, GLY58, VAL65, ALA78, LYS80, LEU103, MET112, LEU114 and 13 more
  • 4MXA · CDPK1 from neospora caninum in complex with inhibitor rm-1-132 · BK7 A601 · binds LEU56, GLY57, LYS58, GLY59, VAL64, ALA77, LYS79, LEU102 and 14 more

Residues it binds most

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

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