Target
Branched-chain-amino-acid aminotransferase, mitochondrial
Ligand
BDBM50118524
Substrate
n/a
Meas. Tech.
ChEMBL_1516912 (CHEMBL3618965)
IC50
63±n/a nM
Citation
 Bertrand, SMAncellin, NBeaufils, BBingham, RPBorthwick, JABoullay, ABBoursier, ECarter, PSChung, CWChurcher, IDodic, NFouchet, MHFournier, CFrancis, PLGummer, LAHerry, KHobbs, AHobbs, CIHomes, PJamieson, CNicodeme, EPickett, SDReid, IHSimpson, GLSloan, LASmith, SESomers, DOSpitzfaden, CSuckling, CJValko, KWashio, YYoung, RJ The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits. J Med Chem 58:7140-63 (2015) [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:
BDBM50118524
Synonyms:
CHEMBL3617080
Type:
Small organic molecule
Emp. Form.:
C18H17BrFN5O
Mol. Mass.:
418.263
SMILES:
CCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1 |r|
Structure:
Search PDB for entries with ligand similarity: