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Target
Cytochrome P450 2D6
Ligand
BDBM41536
Substrate
n/a
Meas. Tech.
ChEMBL_1474441 (CHEMBL3423730)
IC50
13900±n/a nM
Citation
 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT Utilizing structures of CYP2D6 and BACE1 complexes to reduce risk of drug-drug interactions with a novel series of centrally efficacious BACE1 inhibitors. J Med Chem 58:3223-52 (2015) [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:
BDBM41536
Synonyms:
US8865706, 15
Type:
n/a
Emp. Form.:
C17H18F2N4OS
Mol. Mass.:
364.413
SMILES:
Cn1cc(cn1)[C@H]1C[C@H]2CSC(N)=N[C@]2(CO1)c1ccc(F)cc1F |c:13|
Structure:
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