Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50418099
Substrate
n/a
Meas. Tech.
ChEMBL_1486293 (CHEMBL3535063)
Ki
5500±n/a nM
Citation
 Nagy, LD; Mocny, CS; Diffenderfer, LE; Hsi, DJ; Butler, BF; Arthur, EJ; Fletke, KJ; Palamanda, JR; Nomeir, AA; Furge, LL Substituted imidazole of 5-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-piperazinyl]pyrimidine Inactivates cytochrome P450 2D6 by protein adduction. Drug Metab Dispos 39:974-83 (2011) [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:
BDBM50418099
Synonyms:
CHEMBL1519342
Type:
Small organic molecule
Emp. Form.:
C17H22F3N5
Mol. Mass.:
353.3853
SMILES:
CCc1nc(C)c(CN2CCN(CC2)c2cc(ccn2)C(F)(F)F)[nH]1
Structure:
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