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TargetCholine kinase alpha
LigandBDBM50579729
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2145375 (CHEMBL5029655)
IC50 236±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:
BDBM50579729
n/a
NameBDBM50579729
Synonyms:CHEMBL5092659
TypeSmall organic molecule
Emp. Form.C19H19F3N6O3S
Mol. Mass.468.453
SMILESNc1ncnc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1cccc(c1)S(=O)(=O)C(F)(F)F |r,wU:10.11,13.18,(37.09,-3.67,;37.1,-5.21,;38.44,-5.97,;38.44,-7.52,;37.1,-8.29,;35.77,-7.52,;34.3,-8,;33.4,-6.75,;34.31,-5.51,;35.77,-5.98,;33.83,-9.46,;32.32,-9.77,;31.84,-11.23,;32.86,-12.38,;34.37,-12.07,;34.86,-10.6,;32.38,-13.84,;33.4,-14.99,;30.87,-14.16,;29.85,-13.01,;30.33,-11.55,;29.31,-10.4,;27.8,-10.71,;27.32,-12.18,;28.35,-13.33,;25.8,-12.5,;26.2,-13.99,;24.71,-13.59,;24.78,-11.35,;23.27,-11.67,;25.26,-9.89,;23.68,-10.25,)|
Structure
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