Reaction Details Report a problem with these data
Target
Branched-chain-amino-acid aminotransferase, mitochondrial
Ligand
BDBM50607316
Substrate
n/a
Meas. Tech.
ChEMBL_2262571 (CHEMBL5217582)
IC50
200±n/a nM
Citation
 Günther, J; Hillig, RC; Zimmermann, K; Kaulfuss, S; Lemos, C; Nguyen, D; Rehwinkel, H; Habgood, M; Lechner, C; Neuhaus, R; Ganzer, U; Drewes, M; Chai, J; Bouché, L BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe. J Med Chem 65:14366-14390 (2022) [PubMed] 
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:
BDBM50607316
Synonyms:
CHEMBL5219436
Type:
Small organic molecule
Emp. Form.:
C28H19ClF2N2O3
Mol. Mass.:
504.912
SMILES:
Cc1ccccc1Oc1cc(-n2c(=O)cc([nH]c2=O)C(F)(F)c2ccccc2)c2ccccc2c1Cl |(3.33,5.67,;4.67,4.9,;6,5.67,;7.33,4.9,;7.34,3.36,;6.01,2.59,;4.67,3.36,;3.33,2.59,;3.33,1.05,;2,.28,;2,-1.26,;.67,-2.03,;-.67,-1.26,;-.67,.28,;-2,-2.03,;-2,-3.57,;-.67,-4.34,;.67,-3.57,;2,-4.34,;-3.33,-4.34,;-4.1,-5.67,;-2.56,-5.67,;-4.67,-3.56,;-6.01,-4.33,;-7.34,-3.56,;-7.34,-2.02,;-6.01,-1.26,;-4.67,-2.02,;3.34,-2.03,;3.35,-3.58,;4.69,-4.33,;6.01,-3.55,;6,-2.01,;4.67,-1.25,;4.67,.28,;6,1.05,)|
Structure:
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