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TargetCytochrome P450 2B6
LigandBDBM214688
Substrate/CompetitorBDBM50048392
Meas. Tech.CYP450 Inhibition Assay
Temperature310.15±n/a K
IC50>40000±n/a nM
Commentsextracted
Citation Holladay, MWSetti, E Optically active pyrazolylaminoquinazoline, and pharmaceutical compositions and methods of use thereof US Patent US9295672 Publication Date 3/29/2016
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
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  Blast E-value cutoff:
BDBM214688
NameBDBM214688
Synonyms:US9295672, (4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
TypeSmall organic molecule
Emp. Form.C19H16FN5O
Mol. Mass.349.3616
SMILESCc1cc(Nc2nc(nc3ccccc23)C(O)c2ccc(F)cc2)n[nH]1
Structure
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BDBM50048392
NameBDBM50048392
Synonyms:2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one | BUPROPION | BUPROPION HYDROCHLORIDE | CHEMBL894 | US9944618, Compound ID No. 176
TypeSmall organic molecule
Emp. Form.C13H18ClNO
Mol. Mass.239.741
SMILESCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
Structure
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