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Target
Cytochrome P450 2D6
Ligand
BDBM50203653
Substrate
n/a
Meas. Tech.
ChEMBL_1625799 (CHEMBL3868268)
IC50
>50000±n/a nM
Citation
 Lombardo, M; Bender, K; London, C; Plotkin, MA; Kirkland, M; Mane, J; Pachanski, M; Geissler, W; Cummings, J; Habulihaz, B; Akiyama, TE; Di Salvo, J; Madeira, M; Pols, J; Powles, MA; Finley, MF; Johnson, E; Roussel, T; Uebele, VN; Crespo, A; Leung, D; Alleyne, C; Trusca, D; Lei, Y; Howard, AD; Ujjainwalla, F; Tata, JR; Sinz, CJ Discovery of benzofuran propanoic acid GPR120 agonists: From uHTS hit to mechanism-based pharmacodynamic effects. Bioorg Med Chem Lett 26:5724-5728 (2016) [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:
BDBM50203653
Synonyms:
CHEMBL3896657
Type:
Small organic molecule
Emp. Form.:
C18H12F4O4
Mol. Mass.:
368.2791
SMILES:
OC(=O)CCc1cc2cc(ccc2o1)-c1cc(OC(F)(F)F)ccc1F
Structure:
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