Reaction Details Report a problem with these data
Target
Cystine/glutamate transporter
Ligand
BDBM50126157
Substrate
n/a
Meas. Tech.
ChEMBL_1523603 (CHEMBL3631402)
IC50
300±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:
BDBM50126157
Synonyms:
CHEMBL3629580
Type:
Small organic molecule
Emp. Form.:
C37H43ClN6O5
Mol. Mass.:
687.228
SMILES:
CC(C)Oc1ccc(cc1-n1c(CN2CCN(CC2)C(=O)COc2ccc(Cl)cc2)nc2ccccc2c1=O)C(=O)CN1CCN(C)CC1 |(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,;9.33,1.54,;10.67,.77,;12,1.53,;13.34,.76,;13.33,-.78,;14.4,-1.4,;12,-1.55,;10.67,-.77,)|
Structure:
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