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Target
Aspartate aminotransferase, cytoplasmic
Ligand
BDBM50462524
Substrate
n/a
Meas. Tech.
ChEMBL_1775622 (CHEMBL4232614)
IC50
21000±n/a nM
Citation
 Anglin, J; Zavareh, RB; Sander, PN; Haldar, D; Mullarky, E; Cantley, LC; Kimmelman, AC; Lyssiotis, CA; Lairson, LL Discovery and optimization of aspartate aminotransferase 1 inhibitors to target redox balance in pancreatic ductal adenocarcinoma. Bioorg Med Chem Lett 28:2675-2678 (2018) [PubMed]  Article 
Target
Name:
Aspartate aminotransferase, cytoplasmic
Synonyms:
2.6.1.1 | 2.6.1.3 | AATC_HUMAN | Aspartate aminotransferase, cytoplasmic | Cysteine aminotransferase, cytoplasmic | Cysteine transaminase, cytoplasmic | GOT1 | Glutamate oxaloacetate transaminase 1 | Transaminase A | cAspAT | cCAT
Type:
PROTEIN
Mol. Mass.:
46249.45
Organism:
Homo sapiens
Description:
ChEMBL_105469
Residue:
413
Sequence:
MAPPSVFAEVPQAQPVLVFKLTADFREDPDPRKVNLGVGAYRTDDCHPWVLPVVKKVEQKIANDNSLNHEYLPILGLAEFRSCASRLALGDDSPALKEKRVGGVQSLGGTGALRIGADFLARWYNGTNNKNTPVYVSSPTWENHNAVFSAAGFKDIRSYRYWDAEKRGLDLQGFLNDLENAPEFSIVVLHACAHNPTGIDPTPEQWKQIASVMKHRFLFPFFDSAYQGFASGNLERDAWAIRYFVSEGFEFFCAQSFSKNFGLYNERVGNLTVVGKEPESILQVLSQMEKIVRITWSNPPAQGARIVASTLSNPELFEEWTGNVKTMADRILTMRSELRARLEALKTPGTWNHITDQIGMFSFTGLNPKQVEYLVNEKHIYLLPSGRINVSGLTTKNLDYVATSIHEAVTKIQ
  
Inhibitor
Name:
BDBM50462524
Synonyms:
CHEMBL4239993
Type:
Small organic molecule
Emp. Form.:
C20H19N5O
Mol. Mass.:
345.3978
SMILES:
O=C(Nc1ccc(cc1)C#N)N1CCN(CC1)c1cccc2[nH]ccc12
Structure:
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