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Target
Choline kinase alpha
Ligand
BDBM50447103
Substrate
n/a
Meas. Tech.
ChEMBL_1290064 (CHEMBL3117184)
Kd
400±n/a nM
Citation
 Rubio-Ruiz, B; Figuerola-Conchas, A; Ramos-Torrecillas, J; Capitán-Cañadas, F; Ríos-Marco, P; Carrasco, MP; Gallo, MÁ; Espinosa, A; Marco, C; Ruiz, C; Entrena, A; Hurtado-Guerrero, R; Conejo-García, A Discovery of a new binding site on human choline kinasea1: design, synthesis, crystallographic studies, and biological evaluation of asymmetrical bispyridinium derivatives. J Med Chem 57:507-15 (2014) [PubMed]  Article 
Target
Name:
Choline kinase alpha
Synonyms:
CHK | CHKA | CHKA_HUMAN | CKI | Choline kinase alpha
Type:
PROTEIN
Mol. Mass.:
52248.44
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1290064
Residue:
457
Sequence:
MKTKFCTGGEAEPSPLGLLLSCGSGSAAPAPGVGQQRDAASDLESKQLGGQQPPLALPPPPPLPLPLPLPQPPPPQPPADEQPEPRTRRRAYLWCKEFLPGAWRGLREDEFHISVIRGGLSNMLFQCSLPDTTATLGDEPRKVLLRLYGAILQMRSCNKEGSEQAQKENEFQGAEAMVLESVMFAILAERSLGPKLYGIFPQGRLEQFIPSRRLDTEELSLPDISAEIAEKMATFHGMKMPFNKEPKWLFGTMEKYLKEVLRIKFTEESRIKKLHKLLSYNLPLELENLRSLLESTPSPVVFCHNDCQEGNILLLEGRENSEKQKLMLIDFEYSSYNYRGFDIGNHFCEWMYDYSYEKYPFFRANIRKYPTKKQQLHFISSYLPAFQNDFENLSTEEKSIIKEEMLLEVNRFALASHFLWGLWSIVQAKISSIEFGYMDYAQARFDAYFHQKRKLGV
  
Inhibitor
Name:
BDBM50447103
Synonyms:
CHEMBL3112870
Type:
Small organic molecule
Emp. Form.:
C32H38N4
Mol. Mass.:
478.6698
SMILES:
C[N+](C)=c1ccn(Cc2ccc(CCc3ccc(Cn4ccc(cc4)=[N+]4CCCC4)cc3)cc2)cc1 |(47.93,.23,;47.16,-1.11,;45.62,-1.11,;47.93,-2.44,;49.47,-2.44,;50.24,-3.78,;49.46,-5.11,;50.23,-6.44,;51.77,-6.44,;52.54,-7.78,;54.07,-7.78,;54.85,-6.44,;56.39,-6.44,;57.16,-7.78,;58.69,-7.77,;59.45,-9.11,;60.99,-9.12,;61.77,-7.78,;63.31,-7.79,;64.07,-9.12,;63.3,-10.45,;64.06,-11.78,;65.61,-11.79,;66.38,-10.44,;65.61,-9.12,;66.37,-13.12,;65.85,-14.56,;67.06,-15.52,;68.34,-14.66,;67.92,-13.18,;60.99,-6.44,;59.45,-6.45,;54.07,-5.11,;52.53,-5.11,;47.93,-5.11,;47.16,-3.78,)|
Structure:
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