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Target
Cytochrome P450 2D6
Ligand
BDBM50161764
Substrate
n/a
Meas. Tech.
ChEMBL_369007 (CHEMBL870289)
IC50
>3000±n/a nM
Citation
 Wishka, DG; Walker, DP; Yates, KM; Reitz, SC; Jia, S; Myers, JK; Olson, KL; Jacobsen, EJ; Wolfe, ML; Groppi, VE; Hanchar, AJ; Thornburgh, BA; Cortes-Burgos, LA; Wong, EH; Staton, BA; Raub, TJ; Higdon, NR; Wall, TM; Hurst, RS; Walters, RR; Hoffmann, WE; Hajos, M; Franklin, S; Carey, G; Gold, LH; Cook, KK; Sands, SB; Zhao, SX; Soglia, JR; Kalgutkar, AS; Arneric, SP; Rogers, 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 
Target
Name:
Cytochrome P450 2D6
Synonyms:
CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1
Type:
Protein
Mol. Mass.:
55774.82
Organism:
Homo sapiens (Human)
Description:
P10635
Residue:
497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR
  
Inhibitor
Name:
BDBM50161764
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
Type:
Small organic molecule
Emp. Form.:
C14H17ClN2O
Mol. Mass.:
264.751
SMILES:
Clc1ccc(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:
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