Reaction Details Report a problem with these data
Target
Branched-chain-amino-acid aminotransferase, mitochondrial
Ligand
BDBM50162320
Substrate
n/a
Meas. Tech.
ChEMBL_1570254 (CHEMBL3795165)
IC50
<63096±n/a nM
Citation
 Borthwick, JA; Ancellin, N; Bertrand, SM; Bingham, RP; Carter, PS; Chung, CW; Churcher, I; Dodic, N; Fournier, C; Francis, PL; Hobbs, A; Jamieson, C; Pickett, SD; Smith, SE; Somers, DO; Spitzfaden, C; Suckling, CJ; Young, RJ Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J Med Chem 59:2452-67 (2016) [PubMed]  Article 
Target
Name:
Branched-chain-amino-acid aminotransferase, mitochondrial
Synonyms:
BCAT(m) | BCAT2 | BCAT2_HUMAN | BCATM | BCATM | BCT2 | Branched-chain-amino-acid aminotransferase, mitochondrial | ECA40 | PP18 | Placental protein 18
Type:
PROTEIN
Mol. Mass.:
44297.81
Organism:
Homo sapiens (Human)
Description:
ChEMBL_109874
Residue:
392
Sequence:
MAAAALGQIWARKLLSVPWLLCGPRRYASSSFKAADLQLEMTQKPHKKPGPGEPLVFGKTFTDHMLMVEWNDKGWGQPRIQPFQNLTLHPASSSLHYSLQLFEGMKAFKGKDQQVRLFRPWLNMDRMLRSAMRLCLPSFDKLELLECIRRLIEVDKDWVPDAAGTSLYVRPVLIGNEPSLGVSQPTRALLFVILCPVGAYFPGGSVTPVSLLADPAFIRAWVGGVGNYKLGGNYGPTVLVQQEALKRGCEQVLWLYGPDHQLTEVGTMNIFVYWTHEDGVLELVTPPLNGVILPGVVRQSLLDMAQTWGEFRVVERTITMKQLLRALEEGRVREVFGSGTACQVCPVHRILYKDRNLHIPTMENGPELILRFQKELKEIQYGIRAHEWMFPV
  
Inhibitor
Name:
BDBM50162320
Synonyms:
CHEMBL3793462
Type:
Small organic molecule
Emp. Form.:
C18H17N3O4S
Mol. Mass.:
371.41
SMILES:
CCOC(=O)Cc1ccccc1NC(=O)c1sc2nc[nH]c(=O)c2c1C
Structure:
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