Reaction Details
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Cytochrome P450 2D6
Ligand
BDBM50587163
Substrate
n/a
Meas. Tech.
ChEMBL_2171278 (CHEMBL5056412)
IC50
21700±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 More Info.:
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:
BDBM50587163
Synonyms:
CHEMBL5084257
Type:
Small organic molecule
Emp. Form.:
C29H55N6O5PSi
Mol. Mass.:
626.8435
SMILES:
[#7].[#6]-[#6@H](-[#6]-n1cnc2c(-[#7])ncnc12)-[#8]-[#6]P([#8])(=O)[#8]-[#6]-[#6]-[#6]-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]C#C[Si;v4]([#6])([#6])[#6] |r|
Structure:
