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Target
Choline kinase alpha
Ligand
BDBM50342854
Substrate
n/a
Meas. Tech.
ChEMBL_2056236 (CHEMBL4711237)
Kd
24000±n/a nM
Citation
 Serrán-Aguilera, L; Mariotto, E; Rubbini, G; Castro Navas, FF; Marco, C; Carrasco-Jiménez, MP; Ballarotto, M; Macchiarulo, A; Hurtado-Guerrero, R; Viola, G; Lopez-Cara, LC Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism. Eur J Med Chem 207:0 (2020) [PubMed]  Article 
Target
Name:
Choline kinase alpha
Synonyms:
Choline kinase alpha | CHKA_HUMAN | CHKA | CHK | CKI
Type:
PROTEIN
Mol. Mass.:
52248.44
Organism:
Human
Description:
ChEMBL_1290064
Residue:
457
Sequence:
MKTKFCTGGEAEPSPLGLLLSCGSGSAAPAPGVGQQRDAASDLESKQLGGQQPPLALPPPPPLPLPLPLPQPPPPQPPADEQPEPRTRRRAYLWCKEFLPGAWRGLREDEFHISVIRGGLSNMLFQCSLPDTTATLGDEPRKVLLRLYGAILQMRSCNKEGSEQAQKENEFQGAEAMVLESVMFAILAERSLGPKLYGIFPQGRLEQFIPSRRLDTEELSLPDISAEIAEKMATFHGMKMPFNKEPKWLFGTMEKYLKEVLRIKFTEESRIKKLHKLLSYNLPLELENLRSLLESTPSPVVFCHNDCQEGNILLLEGRENSEKQKLMLIDFEYSSYNYRGFDIGNHFCEWMYDYSYEKYPFFRANIRKYPTKKQQLHFISSYLPAFQNDFENLSTEEKSIIKEEMLLEVNRFALASHFLWGLWSIVQAKISSIEFGYMDYAQARFDAYFHQKRKLGV
  
Inhibitor
Name:
BDBM50342854
Synonyms:
1-Benzyl-4-(pyrrolidin-1-yl)pyridinium Bromide | CHEMBL1771557
Type:
Small organic molecule
Emp. Form.:
C16H19BrN2
Mol. Mass.:
n/a
SMILES:
C(c1ccccc1)n1ccc(cc1)=[N+]1CCCC1 |(1.13,-28.27,;2.46,-27.5,;3.79,-28.27,;5.12,-27.5,;5.12,-25.96,;3.78,-25.19,;2.45,-25.97,;-.2,-27.51,;-1.54,-28.28,;-2.87,-27.51,;-2.87,-25.96,;-1.54,-25.19,;-.21,-25.96,;-4.21,-25.19,;-4.37,-23.65,;-5.88,-23.33,;-6.65,-24.67,;-5.61,-25.81,)|
Structure:
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