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Target
Choline kinase
Ligand
BDBM50342874
Substrate
n/a
Meas. Tech.
ChEMBL_1714829 (CHEMBL4124878)
IC50
106000±n/a nM
Citation
 Schiafino-Ortega, S; Baglioni, E; Pérez-Moreno, G; Marco, PR; Marco, C; González-Pacanowska, D; Ruiz-Pérez, LM; Carrasco-Jiménez, MP; López-Cara, LC 1,2-Diphenoxiethane salts as potent antiplasmodial agents. Bioorg Med Chem Lett 28:2485-2489 (2018) [PubMed]  Article 
Target
Name:
Choline kinase
Synonyms:
2.7.1.32 | Choline kinase
Type:
PROTEIN
Mol. Mass.:
52197.43
Organism:
Plasmodium falciparum (isolate 3D7)
Description:
ChEMBL_118136
Residue:
440
Sequence:
MESKICDPIGLDKNKFRKVEEENEENSKIVENGQMTYNDDLEMFTTIQLNQEIDIRKNPFPLHMINQKNDIPLCAQEFSKLTDPLYIKKICLEKVHDWSRCNEDDVCVNQILSGLTNQLFEVSIKEDTAIEYRITRRHVLFRIYGKDVDALYNPLSEFEVYKTMSKYRIAPLLLNTFDGGRIEEWLYGDPLSIDDLKNKSILVGIANVLGKFHTLSRKRHLPEHWDKTPCVFKMMDRWRLAVSNYKNLDKVTLDINKYIQESHKFLKFIKIYTQIENIANDIVFCHNDLQENNIMNTNKCLRLIDFEYSGYNFLSADIANFFIETTIDYSYNAYPFFIINKKNYISYESRILFVTTYLSKYLDDSTAASDQDIIDQFLEAIEVQALGLHLIWAFWSIIRGYQTKSYNEFDFFLYAKERLKMYDEQKQYLMSKNIIKDYDD
  
Inhibitor
Name:
BDBM50342874
Synonyms:
1,1'-[4,4'-(Butane-1,4-diyl)bis(1,4-phenylene)]bis(methylene)bis(4-(dimethylamino)pyridinium)bromide | CHEMBL1771545
Type:
Small organic molecule
Emp. Form.:
C32H40N4
Mol. Mass.:
480.6857
SMILES:
C[N+](C)=c1ccn(Cc2ccc(CCCCc3ccc(Cn4ccc(cc4)=[N+](C)C)cc3)cc2)cc1 |(16.16,-7.42,;16.14,-5.88,;17.47,-5.1,;14.79,-5.13,;13.47,-5.91,;12.13,-5.16,;12.12,-3.62,;10.78,-2.86,;9.45,-3.65,;9.46,-5.18,;8.14,-5.95,;6.81,-5.2,;5.48,-5.98,;4.15,-5.21,;2.82,-5.99,;1.48,-5.22,;.15,-6,;.15,-7.55,;-1.19,-8.32,;-2.52,-7.55,;-3.86,-8.32,;-5.19,-7.55,;-5.18,-6,;-6.52,-5.24,;-7.85,-6,;-7.84,-7.55,;-6.52,-8.32,;-9.18,-5.24,;-9.18,-3.7,;-10.52,-6,;-2.52,-6,;-1.19,-5.23,;6.79,-3.67,;8.1,-2.89,;13.43,-2.83,;14.77,-3.58,)|
Structure:
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