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TargetCytochrome P450 2D6 (2D6)
LigandBDBM50410990
Substrate/Competitorn/a
Meas. Tech.ChEMBL_369356
IC50>30000±n/a nM
Citation Tatsumi, RFujio, MTakanashi, SNumata, AKatayama, JSatoh, HShiigi, YMaeda, JKuriyama, MHorikawa, TMurozono, THashimoto, KTanaka, H (R)-3'-(3-methylbenzo[b]thiophen-5-yl)spiro[1-azabicyclo[2,2,2]octane-3,5'-oxazolidin]-2'-one, a novel and potent alpha7 nicotinic acetylcholine receptor partial agonist displays cognitive enhancing properties. J Med Chem49:4374-83 (2006) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2D6 (2D6)
Name:Cytochrome P450 2D6
Synonyms:CYPIID6 | Cytochrome P450 2D6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1
Type:Protein
Mol. Mass.:55774.82
Organism:Homo sapiens (Human)
Description:P10635
Residue:497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQ
LRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVF
LARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDK
AVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKV
LRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVA
DLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVI
HEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHF
LDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGV
FAFLVSPSPYELCAVPR
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50410990
NameBDBM50410990
Synonyms:CHEMBL2113228
TypeSmall organic molecule
Emp. Form.C17H18N2O3
Mol. Mass.298.3364
SMILESO=C1O[C@@]2(CN1c1ccc3occc3c1)CN1CCC2CC1 |wD:3.2,TLB:4:3:18.17:20.21,THB:2:3:18.17:20.21,(-.73,-30.98,;-2.58,-30.49,;-3.26,-28.7,;-5.17,-28.8,;-5.66,-30.64,;-4.07,-31.68,;-3.97,-33.6,;-5.06,-34.68,;-4.67,-36.16,;-3.2,-36.57,;-2.51,-37.94,;-.99,-37.71,;-.74,-36.2,;-2.1,-35.49,;-2.49,-34,;-5.51,-27.06,;-7.19,-26.31,;-9.01,-27.1,;-8.77,-28.82,;-6.86,-28.01,;-6.55,-25.65,;-7.1,-24.27,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
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