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Target
Branched-chain-amino-acid aminotransferase, mitochondrial
Ligand
BDBM50122750
Substrate
n/a
Meas. Tech.
ChEMBL_1520076 (CHEMBL3625417)
IC50
3900±n/a nM
Citation
 Deng, H; Zhou, J; Sundersingh, FS; Summerfield, J; Somers, D; Messer, JA; Satz, AL; Ancellin, N; Arico-Muendel, CC; Sargent Bedard, KL; Beljean, A; Belyanskaya, SL; Bingham, R; Smith, SE; Boursier, E; Carter, P; Centrella, PA; Clark, MA; Chung, CW; Davie, CP; Delorey, JL; Ding, Y; Franklin, GJ; Grady, LC; Herry, K; Hobbs, C; Kollmann, CS; Morgan, BA; Pothier Kaushansky, LJ; Zhou, Q Discovery, SAR, and X-ray Binding Mode Study of BCATm Inhibitors from a Novel DNA-Encoded Library. ACS Med Chem Lett 6:919-24 (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:
BDBM50122750
Synonyms:
CHEMBL3623143
Type:
Small organic molecule
Emp. Form.:
C24H24BrN3O5S2
Mol. Mass.:
578.498
SMILES:
CNC(=O)c1ccc(cc1OC1CCN(C1)C(=O)c1ccc(Br)s1)-c1ccccc1NS(C)(=O)=O
Structure:
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