Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50546135
Substrate
n/a
Meas. Tech.
ChEMBL_2014367 (CHEMBL4667945)
IC50
40600±n/a nM
Citation
 Meyers, MJ; Liu, J; Liu, Z; Ma, H; Dai, L; Adah, D; Zhao, S; Li, X; Liu, X; Lu, Y; Huang, Y; Tu, Z; Chen, X; Tortorella, MD 4-Aryl Pyrrolidines as Novel Orally Efficacious Antimalarial Agents. Part 2: 2-Aryl- ACS Med Chem Lett 10:966-971 (2019) [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:
BDBM50546135
Synonyms:
CHEMBL4759278
Type:
Small organic molecule
Emp. Form.:
C22H27F2N3O
Mol. Mass.:
387.4661
SMILES:
CN(C)c1ccc(CC(=O)N[C@@H]2CNC[C@H]2c2ccc(cc2)C(C)(F)F)cc1 |r|
Structure:
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