Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 2B6
LigandBDBM12357
Substrate/Competitorn/a
Meas. Tech.Inhibition Assay
pH7.5±n/a
IC50 103000±n/a nM
Commentsextracted
Citation Cashman, JR Synthetic compounds and methods to decrease nicotine self-administration US Patent US8906943 Publication Date 12/9/2014
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:
BDBM12357
n/a
NameBDBM12357
Synonyms:3-(1H-imidazol-4-yl)pyridine | CHEMBL178516 | JMC514968 Compound 7 | US8609708, 14 | US8609708,14 | nicotine 3-heteroaromatic analogue 10
TypeSmall organic molecule
Emp. Form.C8H7N3
Mol. Mass.145.1613
SMILESc1nc(c[nH]1)-c1cccnc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: