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Ligand · BK6

BK6 · 3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

BK6, 3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (C22 H24 N6 O, 388.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
BK6
Formula
C22 H24 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

BK6 in 2 structures; the first of them:

  • 3T3U · Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with… · BK6 A701 · binds LEU57, VAL65, ALA78, LYS80, MET112, LEU114, LEU126, VAL127 and 10 more
  • 3T3U · Calcium-dependent protein kinase 1 from toxoplasma gondii (TGCDPK1) in complex with… · BK6 A701 · binds LEU57, VAL65, ALA78, LYS80, MET112, LEU114, LEU126, VAL127 and 10 more

Residues it binds most

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

Found with

  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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