Ki Summary

Reaction Details

Report a problem with these data

Target

Choline kinase alpha

Ligand

BDBM50579728

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2145385 (CHEMBL5029665)

IC50

479±n/a nM

Citation

Quartieri, F; Nesi, M; Avanzi, NR; Borghi, D; Casale, E; Corti, E; Cucchi, U; Donati, D; Fasolini, M; Felder, ER; Galvani, A; Giorgini, ML; Lomolino, A; Menichincheri, M; Orrenius, C; Perrera, C; Re Depaolini, S; Riccardi-Sirtori, F; Salsi, E; Isacchi, A; Gnocchi, 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

BDBM50579728

n/a

Name

BDBM50579728

Synonyms:

CHEMBL5089380

Type

Small organic molecule

Emp. Form.

C19H19F3N6O3S

Mol. Mass.

468.453

SMILES

Nc1ncnc2n(cnc12)[C@@H]1CC[C@@H](CC1)C(=O)Nc1ccc(cc1)S(=O)(=O)C(F)(F)F |r,wU:10.11,13.18,(17,-3.93,;17.01,-5.47,;18.35,-6.24,;18.35,-7.79,;17.01,-8.56,;15.68,-7.79,;14.21,-8.26,;13.31,-7.01,;14.22,-5.77,;15.68,-6.25,;13.74,-9.73,;12.23,-10.03,;11.75,-11.49,;12.77,-12.64,;14.28,-12.33,;14.77,-10.86,;12.29,-14.11,;13.31,-15.26,;10.78,-14.42,;9.75,-13.27,;10.24,-11.81,;9.22,-10.66,;7.71,-10.98,;7.23,-12.45,;8.25,-13.59,;6.68,-9.82,;6.27,-8.33,;7.77,-8.72,;5.34,-10.59,;5.33,-12.13,;4.01,-9.8,;4,-11.35,)|

Structure