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Target
Cytochrome P450 2D6
Ligand
BDBM50169808
Substrate
n/a
Meas. Tech.
ChEMBL_305983 (CHEMBL832148)
IC50
50±n/a nM
Citation
 Vaz, RJ; Nayeem, A; Santone, K; Chandrasena, G; Gavai, AV A 3D-QSAR model for CYP2D6 inhibition in the aryloxypropanolamine series. Bioorg Med Chem Lett 15:3816-20 (2005) [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:
BDBM50169808
Synonyms:
2-{2-Hydroxy-3-[2-(1H-indol-3-yl)-1,1-dimethyl-ethylamino]-propoxy}-benzamide | 2-{2-Hydroxy-3-[2-(1H-indol-3-yl)-1,1-dimethyl-ethylamino]-propoxy}-benzonitrile | BUCINDOLOL | CHEMBL321582
Type:
Small organic molecule
Emp. Form.:
C22H25N3O2
Mol. Mass.:
363.4528
SMILES:
CC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc1ccccc1C#N
Structure:
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