Reaction Details Report a problem with these data
Target
Branched-chain-amino-acid aminotransferase, mitochondrial
Ligand
BDBM50118630
Substrate
n/a
Meas. Tech.
ChEMBL_1570254 (CHEMBL3795165)
IC50
25119±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:
BDBM50118630
Synonyms:
CHEMBL3617090
Type:
Small organic molecule
Emp. Form.:
C14H10N4O
Mol. Mass.:
250.2554
SMILES:
O=c1cc(Cc2ccccc2)[nH]c2c(cnn12)C#N
Structure:
Search PDB for entries with ligand similarity: