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Target
Cytochrome P450 2D6
Ligand
BDBM50347945
Substrate
n/a
Meas. Tech.
ChEMBL_755920 (CHEMBL1803729)
IC50
>8900±n/a nM
Citation
 Wu, T; Nagle, A; Kuhen, K; Gagaring, K; Borboa, R; Francek, C; Chen, Z; Plouffe, D; Goh, A; Lakshminarayana, SB; Wu, J; Ang, HQ; Zeng, P; Kang, ML; Tan, W; Tan, M; Ye, N; Lin, X; Caldwell, C; Ek, J; Skolnik, S; Liu, F; Wang, J; Chang, J; Li, C; Hollenbeck, T; Tuntland, T; Isbell, J; Fischli, C; Brun, R; Rottmann, M; Dartois, V; Keller, T; Diagana, T; Winzeler, E; Glynne, R; Tully, DC; Chatterjee, AK Imidazolopiperazines: hit to lead optimization of new antimalarial agents. J Med Chem 54:5116-30 (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:
BDBM50347945
Synonyms:
CHEMBL1800774
Type:
Small organic molecule
Emp. Form.:
C22H22F3N5O
Mol. Mass.:
429.4382
SMILES:
CC(C)(N)C(=O)N1CCn2c(C1)nc(c2Nc1ccc(F)c(F)c1)-c1ccc(F)cc1
Structure:
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