Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50499812
Substrate
n/a
Meas. Tech.
ChEMBL_1541426 (CHEMBL3743594)
IC50
>20000±n/a nM
Citation
 Ng, PS; Manjunatha, UH; Rao, SP; Camacho, LR; Ma, NL; Herve, M; Noble, CG; Goh, A; Peukert, S; Diagana, TT; Smith, PW; Kondreddi, RR Structure activity relationships of 4-hydroxy-2-pyridones: A novel class of antituberculosis agents. Eur J Med Chem 106:144-56 (2015) [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:
Human
Description:
P10635
Residue:
497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR
  
Inhibitor
Name:
BDBM50499812
Synonyms:
CHEMBL3597017
Type:
Small organic molecule
Emp. Form.:
C15H17NO2
Mol. Mass.:
243.301
SMILES:
CC(C)Cc1cc(O)c(-c2ccccc2)c(=O)[nH]1
Structure:
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