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Target
Cystine/glutamate transporter
Ligand
BDBM50376126
Substrate
n/a
Meas. Tech.
ChEMBL_1831188 (CHEMBL4331196)
IC50
200±n/a nM
Citation
 Li, L; Meng, Y; Li, Z; Dai, W; Xu, X; Bi, X; Bian, J Discovery and development of small molecule modulators targeting glutamine metabolism. Eur J Med Chem 163:215-242 (2019) [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:
BDBM50376126
Synonyms:
ERASTIN
Type:
Small organic molecule
Emp. Form.:
C30H31ClN4O4
Mol. Mass.:
547.045
SMILES:
CCOc1ccccc1-n1c(nc2ccccc2c1=O)C(C)N1CCN(CC1)C(=O)COc1ccc(Cl)cc1 |w:20.23,(-5.83,4.76,;-7.16,3.98,;-7.16,2.44,;-8.49,1.67,;-9.83,2.43,;-11.15,1.66,;-11.15,.11,;-9.82,-.66,;-8.48,.12,;-7.14,-.65,;-7.15,-2.2,;-5.83,-2.97,;-4.5,-2.2,;-3.17,-2.98,;-1.83,-2.21,;-1.83,-.67,;-3.16,.1,;-4.49,-.66,;-5.82,.11,;-5.82,1.65,;-8.49,-2.97,;-9.82,-2.19,;-8.5,-4.51,;-9.83,-5.27,;-9.84,-6.8,;-8.51,-7.58,;-7.17,-6.82,;-7.16,-5.27,;-8.53,-9.12,;-9.87,-9.88,;-7.2,-9.9,;-5.86,-9.14,;-4.53,-9.92,;-4.55,-11.46,;-3.22,-12.24,;-1.88,-11.48,;-.55,-12.26,;-1.88,-9.93,;-3.2,-9.16,)|
Structure:
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