Target
Branched-chain-amino-acid aminotransferase, mitochondrial
Ligand
BDBM50118589
Substrate
n/a
Meas. Tech.
ChEMBL_1516909 (CHEMBL3618962)
IC50
100±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:
BDBM50118589
Synonyms:
CHEMBL3617096
Type:
Small organic molecule
Emp. Form.:
C21H16ClN5O
Mol. Mass.:
389.838
SMILES:
Clc1ccc(CNc2nn3c([nH]c(Cc4ccccc4)cc3=O)c2C#N)cc1
Structure:
Search PDB for entries with ligand similarity: