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Target
Cytochrome P450 2D6
Ligand
BDBM50587161
Substrate
n/a
Meas. Tech.
ChEMBL_2171278 (CHEMBL5056412)
IC50
>20000±n/a nM
Citation
 Pribut, N; D'Erasmo, M; Dasari, M; Giesler, KE; Iskandar, S; Sharma, SK; Bartsch, PW; Raghuram, A; Bushnev, A; Hwang, SS; Burton, SL; Derdeyn, CA; Basson, AE; Liotta, DC; Miller, EJ ?-Functionalized Lipid Prodrugs of HIV NtRTI Tenofovir with Enhanced Pharmacokinetic Properties. J Med Chem 64:12917-12937 (2021) [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:
BDBM50587161
Synonyms:
CHEMBL5073369
Type:
Small organic molecule
Emp. Form.:
C28H48F3N6O5P
Mol. Mass.:
636.6869
SMILES:
N.C[C@H](Cn1cnc2c(N)ncnc12)OCP(O)(=O)OCCCOCCCCCCCCCCCCCC#CC(F)(F)F |r|
Structure:
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