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Ligand · BK3

BK3 · 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

BK3, 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (C22 H24 N6, 372.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within…

Component
BK3
Formula
C22 H24 N6
Class
ligand
Structures
4
PDB entries
2

Binding sites

BK3 in 4 structures; the first of them:

  • 3MWU · Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in… · BK3 A561 · binds LEU82, GLY83, VAL90, ALA103, VAL104, LYS105, MET136, LEU138 and 10 more
  • 3N51 · Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with… · BK3 A701 · binds LEU57, GLY58, LYS59, VAL65, ALA78, VAL79, LYS80, MET112 and 12 more
  • 3MWU · Activated calcium-dependent protein kinase 1 from cryptosporidium parvum (CPCDPK1) in… · BK3 A561 · binds LEU82, GLY83, VAL90, ALA103, VAL104, LYS105, MET136, LEU138 and 10 more
  • 3N51 · Calcium-dependent protein kinase 1 from toxoplasma gondii (TGCDPK1) in complex with… · BK3 A701 · binds LEU57, GLY58, LYS59, VAL65, ALA78, VAL79, LYS80, MET112 and 12 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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