Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM161090
Substrate
n/a
Meas. Tech.
Inhibition Assay
Temperature
310.15±n/a K
IC50
5800±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:
BDBM161090
Synonyms:
US9051240, 2-[2-(3-Butoxyphenyl)-ethylamino]-N,N-dimethylacetamide | US9447029, 2-[2-(3-Butoxyphenyl)-ethylamino]-N,N-dimethyl-acetamide
Type:
Small organic molecule
Emp. Form.:
C16H26N2O2
Mol. Mass.:
278.3898
SMILES:
CCCCOc1cccc(CCNCC(=O)N(C)C)c1
Structure:
Search PDB for entries with ligand similarity: