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Target
Cytochrome P450 2D6
Ligand
BDBM50255702
Substrate
n/a
Meas. Tech.
ChEMBL_515428 (CHEMBL1028887)
Ki
28.1±n/a nM
Citation
 Ponte-Sucre, A; Gulder, T; Wegehaupt, A; Albert, C; Rikanovic, C; Schaeflein, L; Frank, A; Schultheis, M; Unger, M; Holzgrabe, U; Bringmann, G; Moll, H Structure-activity relationship and studies on the molecular mechanism of leishmanicidal N,C-coupled arylisoquinolinium salts. J Med Chem 52:626-36 (2009) [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:
BDBM50255702
Synonyms:
CHEMBL520612 | N-(4'-Methyl phenyl)-6,8-dimethoxy-1,3-dimethylisoquinolinium tetrafluoroborate
Type:
Small organic molecule
Emp. Form.:
C20H22NO2
Mol. Mass.:
308.3936
SMILES:
COc1cc(OC)c2c(C)[n+](c(C)cc2c1)-c1ccc(C)cc1
Structure:
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