Reaction Details Report a problem with these data
Target
Cystine/glutamate transporter
Ligand
BDBM50126160
Substrate
n/a
Meas. Tech.
ChEMBL_1523603 (CHEMBL3631402)
IC50
4.0±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 Lett 25:4787-92 (2015) [PubMed]  Article 
Target
Name:
Cystine/glutamate transporter
Synonyms:
SLC7A11 | XCT_HUMAN
Type:
PROTEIN
Mol. Mass.:
55437.48
Organism:
Homo sapiens (Human)
Description:
ChEMBL_772170
Residue:
501
Sequence:
MVRKPVVSTISKGGYLQGNVNGRLPSLGNKEPPGQEKVQLKRKVTLLRGVSIIIGTIIGAGIFISPKGVLQNTGSVGMSLTIWTVCGVLSLFGALSYAELGTTIKKSGGHYTYILEVFGPLPAFVRVWVELLIIRPAATAVISLAFGRYILEPFFIQCEIPELAIKLITAVGITVVMVLNSMSVSWSARIQIFLTFCKLTAILIIIVPGVMQLIKGQTQNFKDAFSGRDSSITRLPLAFYYGMYAYAGWFYLNFVTEEVENPEKTIPLAICISMAIVTIGYVLTNVAYFTTINAEELLLSNAVAVTFSERLLGNFSLAVPIFVALSCFGSMNGGVFAVSRLFYVASREGHLPEILSMIHVRKHTPLPAVIVLHPLTMIMLFSGDLDSLLNFLSFARWLFIGLAVAGLIYLRYKCPDMHRPFKVPLFIPALFSFTCLFMVALSLYSDPFSTGIGFVITLTGVPAYYLFIIWDKKPRWFRIMSEKITRTLQIILEVVPEEDKL
  
Inhibitor
Name:
BDBM50126160
Synonyms:
CHEMBL3629669
Type:
Small organic molecule
Emp. Form.:
C44H49ClN6O6
Mol. Mass.:
793.349
SMILES:
COc1ccc(CN2CCN(CC(=O)c3ccc(OC(C)C)c(c3)-n3c(CN4CCN(CC4)C(=O)COc4ccc(Cl)cc4)nc4ccccc4c3=O)CC2)cc1 |(13.56,-8.32,;14.63,-7.72,;14.64,-6.18,;15.98,-5.41,;15.99,-3.87,;14.66,-3.1,;14.66,-1.55,;13.33,-.78,;13.34,.76,;12,1.53,;10.67,.77,;9.33,1.54,;8,.76,;8,-.47,;6.66,1.53,;6.67,3.07,;5.33,3.85,;4,3.08,;2.67,3.85,;2.67,5.4,;1.61,6.02,;3.74,6.01,;4,1.54,;5.33,.77,;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,-8.32,;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,;10.67,-.77,;12,-1.55,;13.32,-3.86,;13.31,-5.4,)|
Structure:
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