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Target
Choline kinase alpha
Ligand
BDBM50556492
Substrate
n/a
Meas. Tech.
ChEMBL_2056236 (CHEMBL4711237)
Kd
185±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:
BDBM50556492
Synonyms:
CHEMBL4747352
Type:
Small organic molecule
Emp. Form.:
C29H24BrClN2
Mol. Mass.:
515.88
SMILES:
CN(c1ccccc1)c1cc[n+](Cc2ccc(cc2)-c2ccccc2)c2cc(Cl)ccc12
Structure:
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