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Ligand · BK1

BK1 · 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

BK1, 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (C19 H19 N5, 317.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å…

Component
BK1
Formula
C19 H19 N5
Class
ligand
Structures
4
PDB entries
2

Binding sites

BK1 in 4 structures; the first of them:

  • 3I7B · Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with… · BK1 A701 · binds LEU57, GLY58, LYS59, GLY60, VAL65, ALA78, VAL79, LYS80 and 11 more
  • 3NCG · Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in… · BK1 A561 · binds LEU82, GLY83, VAL90, ALA103, VAL104, LYS105, MET136, LEU138 and 8 more
  • 3I7B · Calcium-dependent protein kinase 1 from toxoplasma gondii (TGCDPK1) in complex with… · BK1 A701 · binds LEU57, GLY58, LYS59, GLY60, VAL65, ALA78, VAL79, LYS80 and 11 more
  • 3NCG · Activated calcium-dependent protein kinase 1 from cryptosporidium parvum (CPCDPK1) in… · BK1 A561 · binds LEU82, GLY83, VAL90, ALA103, VAL104, LYS105, MET136, LEU138 and 8 more

Residues it binds most

LEU 4, VAL 4, GLY 4, ILE 4, LYS 4, ALA 4, ASP 4, GLU 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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