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TargetCholine kinase alpha
LigandBDBM50579783
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2145375 (CHEMBL5029655)
IC50 49±n/a nM
Citation Quartieri, FNesi, MAvanzi, NRBorghi, DCasale, ECorti, ECucchi, UDonati, DFasolini, MFelder, ERGalvani, AGiorgini, MLLomolino, AMenichincheri, MOrrenius, CPerrera, CRe Depaolini, SRiccardi-Sirtori, FSalsi, EIsacchi, AGnocchi, P Identification of unprecedented ATP-competitive choline kinase inhibitors. Bioorg Med Chem Lett51:0 (2021) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Choline kinase alpha
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:
MKTKFCTGGEAEPSPLGLLLSCGSGSAAPAPGVGQQRDAASDLESKQLGGQQPPLALPPP
PPLPLPLPLPQPPPPQPPADEQPEPRTRRRAYLWCKEFLPGAWRGLREDEFHISVIRGGL
SNMLFQCSLPDTTATLGDEPRKVLLRLYGAILQMRSCNKEGSEQAQKENEFQGAEAMVLE
SVMFAILAERSLGPKLYGIFPQGRLEQFIPSRRLDTEELSLPDISAEIAEKMATFHGMKM
PFNKEPKWLFGTMEKYLKEVLRIKFTEESRIKKLHKLLSYNLPLELENLRSLLESTPSPV
VFCHNDCQEGNILLLEGRENSEKQKLMLIDFEYSSYNYRGFDIGNHFCEWMYDYSYEKYP
FFRANIRKYPTKKQQLHFISSYLPAFQNDFENLSTEEKSIIKEEMLLEVNRFALASHFLW
GLWSIVQAKISSIEFGYMDYAQARFDAYFHQKRKLGV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50579783
n/a
NameBDBM50579783
Synonyms:CHEMBL5088850
TypeSmall organic molecule
Emp. Form.C18H20ClN7O3S2
Mol. Mass.481.98
SMILESNc1nc(Cl)nc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1nc2CCS(=O)(=O)Cc2s1 |r,wU:11.12,14.19,(78.25,-20.67,;78.26,-22.21,;79.6,-22.97,;79.6,-24.52,;80.94,-25.29,;78.26,-25.3,;76.93,-24.52,;75.46,-25,;74.56,-23.75,;75.47,-22.51,;76.93,-22.98,;74.98,-26.46,;73.48,-26.77,;73,-28.23,;74.02,-29.38,;75.53,-29.07,;76.02,-27.6,;73.54,-30.85,;74.56,-32,;72.03,-31.16,;71,-30.01,;69.46,-30.15,;68.85,-28.75,;67.39,-28.28,;67.08,-26.77,;68.21,-25.74,;67.12,-24.65,;68.62,-24.24,;69.68,-26.23,;69.99,-27.72,;71.33,-28.49,)|
Structure
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