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Target
Cytochrome P450 2D6
Ligand
BDBM50441246
Substrate
n/a
Meas. Tech.
ChEMBL_984595 (CHEMBL2434089)
IC50
>5000±n/a nM
Citation
 Schoenfeld, RC; Bourdet, DL; Brameld, KA; Chin, E; de Vicente, J; Fung, A; Harris, SF; Lee, EK; Le Pogam, S; Leveque, V; Li, J; Lui, AS; Najera, I; Rajyaguru, S; Sangi, M; Steiner, S; Talamas, FX; Taygerly, JP; Zhao, J Discovery of a novel series of potent non-nucleoside inhibitors of hepatitis C virus NS5B. J Med Chem 56:8163-82 (2013) [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:
BDBM50441246
Synonyms:
CHEMBL2431456
Type:
Small organic molecule
Emp. Form.:
C25H30N2O4S
Mol. Mass.:
454.582
SMILES:
COc1c(CCc2ccc(NS(C)(=O)=O)cc2)cc(cc1C(C)(C)C)-c1ccc[nH]c1=O
Structure:
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