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Target
Cytochrome P450 2D6
Ligand
BDBM50353386
Substrate
n/a
Meas. Tech.
ChEMBL_768823 (CHEMBL1831805)
IC50
>10000±n/a nM
Citation
 Xu, Z; Tice, CM; Zhao, W; Cacatian, S; Ye, YJ; Singh, SB; Lindblom, P; McKeever, BM; Krosky, PM; Kruk, BA; Berbaum, J; Harrison, RK; Johnson, JA; Bukhtiyarov, Y; Panemangalore, R; Scott, BB; Zhao, Y; Bruno, JG; Togias, J; Guo, J; Guo, R; Carroll, PJ; McGeehan, GM; Zhuang, L; He, W; Claremon, DA Structure-based design and synthesis of 1,3-oxazinan-2-one inhibitors of 11ß-hydroxysteroid dehydrogenase type 1. J Med Chem 54:6050-62 (2011) [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:
BDBM50353386
Synonyms:
CHEMBL1829763 | US8592410, 88 | US8592410, Comparator 3 | US8598163, 61
Type:
Small organic molecule
Emp. Form.:
C26H24F3NO3
Mol. Mass.:
455.4689
SMILES:
C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F |r|
Structure:
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