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Target
Cytochrome P450 2D6
Ligand
BDBM50121975
Substrate
n/a
Meas. Tech.
ChEMBL_1869045 (CHEMBL4370111)
IC50
156±n/a nM
Citation
 Kang, D; Zhang, H; Wang, Z; Zhao, T; Ginex, T; Luque, FJ; Yang, Y; Wu, G; Feng, D; Wei, F; Zhang, J; De Clercq, E; Pannecouque, C; Chen, CH; Lee, KH; Murugan, NA; Steitz, TA; Zhan, P; Liu, X Identification of Dihydrofuro[3,4- d]pyrimidine Derivatives as Novel HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors with Promising Antiviral Activities and Desirable Physicochemical Properties. J Med Chem 62:1484-1501 (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:
BDBM50121975
Synonyms:
(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol | CARDIOQUIN | CHEMBL1294 | CIN-QUIN | DURAQUIN | QUINACT | QUINAGLUTE | QUINALAN | QUINATIME | QUINIDEX | QUINIDINE | QUINORA | US9402878, Quinidine
Type:
Small organic molecule
Emp. Form.:
C20H24N2O2
Mol. Mass.:
324.4168
SMILES:
COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15|
Structure:
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