Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 2B6
LigandBDBM50335818
Substrate/Competitorn/a
Meas. Tech.ChEMBL_715316 (CHEMBL1664603)
IC50 5340±n/a nM
Citation Marchais-Oberwinkler, SWetzel, MZiegler, EKruchten, PWerth, RHenn, CHartmann, RWFrotscher, M New drug-like hydroxyphenylnaphthol steroidomimetics as potent and selective 17ß-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of estrogen-dependent diseases. J Med Chem54:534-47 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2B6
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:
MELSVLLFLALLTGLLLLLVQRHPNTHDRLPPGPRPLPLLGNLLQMDRRGLLKSFLRFRE
KYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNR
WKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIIC
SIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKYFPGAHRQVYKNLQE
INAYIGHSVEKHRETLDPSAPKDLIDTYLLHMEKEKSNAHSEFSHQNLNLNTLSLFFAGT
ETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFS
DLLPMGVPHIVTQHTSFRGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGAL
KKTEAFIPFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGVGKI
PPTYQIRFLPR
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50335818
n/a
NameBDBM50335818
Synonyms:6-(3-Hydroxyphenyl)-1-(pyridin-3-yl)-2-naphthol | CHEMBL1650645
TypeSmall organic molecule
Emp. Form.C21H15NO2
Mol. Mass.313.3493
SMILESOc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccnc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: