Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM247258
Substrate
n/a
Meas. Tech.
Inhibition Assay
Temperature
310.15±n/a K
IC50
>40000±n/a nM
Comments
extracted
Citation
 Pevarello, P Fluorinated arylalkylaminocarboxamide derivatives US Patent  US9447029 Publication Date 9/20/2016 
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:
BDBM247258
Synonyms:
US9447029, 1-21
Type:
Small organic molecule
Emp. Form.:
C18H23F5N2O3
Mol. Mass.:
410.3788
SMILES:
FC(F)(F)CCCOc1cccc(c1)C(F)(F)CNCC(=O)N1CCOCC1
Structure:
Search PDB for entries with ligand similarity: