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Target
Cytochrome P450 2B6
Ligand
BDBM50133595
Substrate
n/a
Meas. Tech.
ChEMBL_1526176 (CHEMBL3636701)
IC50
>100000±n/a nM
Citation
 Ruggeri, RB; Buckbinder, L; Bagley, SW; Carpino, PA; Conn, EL; Dowling, MS; Fernando, DP; Jiao, W; Kung, DW; Orr, ST; Qi, Y; Rocke, BN; Smith, A; Warmus, JS; Zhang, Y; Bowles, D; Widlicka, DW; Eng, H; Ryder, T; Sharma, R; Wolford, A; Okerberg, C; Walters, K; Maurer, TS; Zhang, Y; Bonin, PD; Spath, SN; Xing, G; Hepworth, D; Ahn, K; Kalgutkar, AS Discovery of 2-(6-(5-Chloro-2-methoxyphenyl)-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide (PF-06282999): A Highly Selective Mechanism-Based Myeloperoxidase Inhibitor for the Treatment of Cardiovascular Diseases. J Med Chem 58:8513-28 (2015) [PubMed]  Article 
Target
Name:
Cytochrome P450 2B6
Synonyms:
CP2B6_HUMAN | CYP2B6 | Cytochrome P450 2B6 (CYP2B6)
Type:
Protein
Mol. Mass.:
56289.75
Organism:
Homo sapiens (Human)
Description:
P20813
Residue:
491
Sequence:
MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKIPPTYQIRFLPR
  
Inhibitor
Name:
BDBM50133595
Synonyms:
CHEMBL3633460
Type:
Small organic molecule
Emp. Form.:
C13H12ClN3O3S
Mol. Mass.:
325.771
SMILES:
COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O
Structure:
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