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TargetCytochrome P450 2B6
LigandBDBM50239717
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1666752
IC50>20000±n/a nM
Citation Liu QShi QMarcoux DBatt DGCornelius LQin LYRuan ZNeels JBeaudoin-Bertrand MSrivastava ASLi LCherney RJGong HWatterson SHWeigelt CGillooly KMMcIntyre KWXie JHObermeier MTFura ASleczka BStefanski KFancher RMPadmanabhan SRp TKundu IRajareddy KSmith RHennan JKXing DFan JLevesque PCRuan QPitt SZhang RPedicord DPan JYarde MLu HLippy JGoldstine CSkala SRampulla RAMathur AGupta AArunachalam PNSack JSMuckelbauer JKCvijic MESalter-Cid LMBhide RSPoss MAHynes JCarter PHMacor JERuepp SSchieven GLTino JA Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase? (PI3K?) Inhibitor for the Treatment of Immunological Disorders. J Med Chem 60:5193-5208 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2B6
Name:Cytochrome P450 2B6
Synonyms:Cytochrome P450 2B6 (CYP2B6)
Type:Protein
Mol. Mass.:56289.75
Organism:Homo sapiens (Human)
Description:P20813
Residue:491
Sequence:
MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFRE
KYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNR
WKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIIC
SIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQE
INAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGT
ETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFS
DLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGAL
KKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKI
PPTYQIRFLPR
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50239717
n/a
NameBDBM50239717
Synonyms:CHEMBL4059848 | US10214537, Example 657
TypeSmall organic molecule
Emp. Form.C25H25F3N8O2
Mol. Mass.526.5136
SMILESCC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
Structure
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