Target
Cytochrome P450 2D6
Ligand
BDBM50416875
Substrate
US9487494, AMMC
Meas. Tech.
Inhibition Assay
pH
7.4±n/a
Temperature
310.15±n/a K
IC50
50±n/a nM
Comments
extracted
Citation
 Fensholdt, JHavez, SENørremark, B Cyclic hydrocarbon compounds for the treatment of diseases US Patent  US9487494 Publication Date 11/8/2016 
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:
BDBM50416875
Synonyms:
AMG-073 | AMG073 HCL | CINACALCET | CINACALCET HYDROCHLORIDE | US9487494, Cinacalcet
Type:
Small organic molecule
Emp. Form.:
C22H22F3N
Mol. Mass.:
357.412
SMILES:
C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM189324
Synonyms:
US9173935, AMMC
Type:
Substrate
Emp. Form.:
C18H26NO3
Mol. Mass.:
304.4034
SMILES:
CC[N+](C)(CC)CCc1c(C)c2ccc(OC)cc2oc1=O
Structure:
Search PDB for entries with ligand similarity: