Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50446514
Substrate
n/a
Meas. Tech.
ChEMBL_1286292 (CHEMBL3111263)
IC50
>25000±n/a nM
Citation
 Bourbeau, MP; Siegmund, A; Allen, JG; Shu, H; Fotsch, C; Bartberger, MD; Kim, KW; Komorowski, R; Graham, M; Busby, J; Wang, M; Meyer, J; Xu, Y; Salyers, K; Fielden, M; Véniant, MM; Gu, W Piperazine oxadiazole inhibitors of acetyl-CoA carboxylase. J Med Chem 56:10132-41 (2013) [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:
BDBM50446514
Synonyms:
CHEMBL3110076
Type:
Small organic molecule
Emp. Form.:
C22H31N5O3
Mol. Mass.:
413.5132
SMILES:
CCOc1ccc(N2CCN([C@@H](C)C2)c2noc(n2)C2(CCC2)NC(C)=O)c(C)c1 |r|
Structure:
Search PDB for entries with ligand similarity: