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Target
Choline kinase
Ligand
BDBM85206
Substrate
n/a
Meas. Tech.
ChEMBL_1714829 (CHEMBL4124878)
IC50
250000±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:
BDBM85206
Synonyms:
CAS_312-45-8 | Hemicholinium-3 | NSC_9399
Type:
Small organic molecule
Emp. Form.:
C24H34N2O4
Mol. Mass.:
414.5367
SMILES:
C[N+]1(C)CCOC(O)(C1)c1ccc(cc1)-c1ccc(cc1)C1(O)C[N+](C)(C)CCO1
Structure:
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