Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 2D6 (2D6)
LigandBDBM50161764
Substrate/Competitorn/a
Meas. Tech.ChEMBL_369007
IC50>3000±n/a nM
Citation Wishka DGWalker DPYates KMReitz SCJia SMyers JKOlson KLJacobsen EJWolfe MLGroppi VEHanchar AJThornburgh BACortes-Burgos LAWong EHStaton BARaub TJHigdon NRWall TMHurst RSWalters RRHoffmann WEHajos MFranklin SCarey GGold LHCook KKSands SBZhao SXSoglia JRKalgutkar ASArneric SPRogers BN Discovery of N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide, an agonist of the alpha7 nicotinic acetylcholine receptor, for the potential treatment of cognitive deficits in schizophrenia: synthesis and structure--activity relationship. J Med Chem 49:4425-36 (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:
BDBM50161764
n/a
NameBDBM50161764
Synonyms:(R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4-chloro-N-(quinuclidin-8-yl)benzamide | CHEMBL177611 | N-(R)-1-Aza-bicyclo[2.2.2]oct-3-yl-4-chloro-benzamide | PNU-282987 | PNU282987
TypeSmall organic molecule
Emp. Form.C14H17ClN2O
Mol. Mass.264.751
SMILESClc1ccc(cc1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:10.10,TLB:9:10:14.13:16.17,(9.34,-31.61,;10.67,-32.38,;10.67,-33.92,;12,-34.69,;13.35,-33.92,;13.34,-32.37,;12,-31.6,;14.68,-34.69,;16.01,-33.92,;14.68,-36.23,;16.02,-37,;16.46,-35.89,;16.53,-37.53,;15.18,-38.13,;14.9,-39.53,;16.27,-38.89,;17.81,-39.55,;18,-38.17,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: