Reaction Details Report a problem with these data
Target
Branched-chain-amino-acid aminotransferase, cytosolic
Ligand
BDBM50353006
Substrate
n/a
Meas. Tech.
ChEMBL_767755 (CHEMBL1825867)
IC50
15000±n/a nM
Citation
 Mendoza, R; Petros, AM; Liu, Y; Thimmapaya, R; Surowy, CS; Leise, WF; Pereda-Lopez, A; Panchal, SC; Sun, C Cracking the molecular weight barrier: fragment screening of an aminotransferase using an NMR-based functional assay. Bioorg Med Chem Lett 21:5248-50 (2011) [PubMed]  Article 
Target
Name:
Branched-chain-amino-acid aminotransferase, cytosolic
Synonyms:
BCAT1 | BCAT1_HUMAN | BCT1 | Branched-chain-amino-acid transferase | ECA39
Type:
PROTEIN
Mol. Mass.:
42957.10
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1516919
Residue:
386
Sequence:
MKDCSNGCSAECTGEGGSKEVVGTFKAKDLIVTPATILKEKPDPNNLVFGTVFTDHMLTVEWSSEFGWEKPHIKPLQNLSLHPGSSALHYAVELFEGLKAFRGVDNKIRLFQPNLNMDRMYRSAVRATLPVFDKEELLECIQQLVKLDQEWVPYSTSASLYIRPTFIGTEPSLGVKKPTKALLFVLLSPVGPYFSSGTFNPVSLWANPKYVRAWKGGTGDCKMGGNYGSSLFAQCEAVDNGCQQVLWLYGEDHQITEVGTMNLFLYWINEDGEEELATPPLDGIILPGVTRRCILDLAHQWGEFKVSERYLTMDDLTTALEGNRVREMFGSGTACVVCPVSDILYKGETIHIPTMENGPKLASRILSKLTDIQYGREESDWTIVLS
  
Inhibitor
Name:
BDBM50353006
Synonyms:
CHEMBL1825195
Type:
Small organic molecule
Emp. Form.:
C10H4F2N2O
Mol. Mass.:
206.1484
SMILES:
Fc1cccc(-c2oncc2C#N)c1F
Structure:
Search PDB for entries with ligand similarity: