Reaction Details | |||
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Target | Cystine/glutamate transporter | ||
Ligand | BDBM50126153 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1523603 (CHEMBL3631402) | ||
IC50 | 30±n/a nM | ||
Citation | Larraufie, MH; Yang, WS; Jiang, E; Thomas, AG; Slusher, BS; Stockwell, BR Incorporation of metabolically stable ketones into a small molecule probe to increase potency and water solubility. Bioorg Med Chem Lett25:4787-92 (2015) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Cystine/glutamate transporter | |||
Name: | Cystine/glutamate transporter | ||
Synonyms: | SLC7A11 | XCT_HUMAN | ||
Type: | PROTEIN | ||
Mol. Mass.: | 55437.48 | ||
Organism: | Homo sapiens (Human) | ||
Description: | ChEMBL_772170 | ||
Residue: | 501 | ||
Sequence: |
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BDBM50126153 | |||
n/a | |||
Name | BDBM50126153 | ||
Synonyms: | CHEMBL3629576 | ||
Type | Small organic molecule | ||
Emp. Form. | C32H33ClN4O5 | ||
Mol. Mass. | 589.081 | ||
SMILES | CC(C)Oc1ccc(cc1-n1c(CN2CCN(CC2)C(=O)COc2ccc(Cl)cc2)nc2ccccc2c1=O)C(C)=O |(1.61,6.02,;2.67,5.4,;3.74,6.01,;2.67,3.85,;4,3.08,;5.33,3.85,;6.67,3.07,;6.66,1.53,;5.33,.77,;4,1.54,;2.66,.77,;2.66,-.77,;3.99,-1.54,;3.99,-3.08,;5.32,-3.86,;5.32,-5.4,;3.98,-6.16,;2.65,-5.39,;2.66,-3.85,;3.97,-7.7,;5.04,-8.33,;2.64,-8.47,;2.63,-10.01,;1.29,-10.77,;1.28,-12.31,;-.06,-13.07,;-1.39,-12.29,;-2.46,-12.9,;-1.38,-10.75,;-.04,-9.99,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;1.33,2.77,;8,.76,;8,-.47,;9.07,1.38,)| | ||
Structure |