Target
Branched-chain-amino-acid aminotransferase, mitochondrial
Ligand
BDBM50173930
Substrate
n/a
Meas. Tech.
ChEBML_1580973
IC50
1995±n/a nM
Citation
 Deng, HZhou, JSundersingh, FMesser, JASomers, DOAjakane, MArico-Muendel, CCBeljean, ABelyanskaya, SLBingham, RBlazensky, EBoullay, ABBoursier, EChai, JCarter, PChung, CWDaugan, ADing, YHerry, KHobbs, CHumphries, EKollmann, CNguyen, VLNicodeme, ESmith, SEDodic, NAncellin, N Discovery and Optimization of Potent, Selective, and in Vivo Efficacious 2-Aryl Benzimidazole BCATm Inhibitors. ACS Med Chem Lett 7:379-84 (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:
BDBM50173930
Synonyms:
CHEMBL3808610
Type:
Small organic molecule
Emp. Form.:
C25H24BrN5O2S
Mol. Mass.:
538.459
SMILES:
CN([C@H]1CCC[C@H](C1)n1c(nc2cc(ccc12)C(N)=O)-c1ccccn1)C(=O)c1ccc(Br)s1 |r|
Structure:
Search PDB for entries with ligand similarity: