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Target
Cytochrome P450 2D6
Ligand
BDBM50183224
Substrate
n/a
Meas. Tech.
ChEMBL_355283 (CHEMBL853204)
IC50
>5000±n/a nM
Citation
 Mulvihill, MJ; Kan, JL; Cooke, A; Bhagwat, S; Beck, P; Bittner, M; Cesario, C; Keane, D; Lazarescu, V; Nigro, A; Nillson, C; Panicker, B; Smith, V; Srebernak, M; Sun, FL; O'Connor, M; Russo, S; Fischetti, G; Vrkljan, M; Winski, S; Castelhano, AL; Emerson, D; Gibson, NW 3-[6-(2-Dimethylamino-1-imidazol-1-yl-butyl)-naphthalen-2-yloxy]-2,2-dimethyl-propionic acid as a highly potent and selective retinoic acid metabolic blocking agent. Bioorg Med Chem Lett 16:2729-33 (2006) [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:
BDBM50183224
Synonyms:
3-[6-(2-dimethylamino-1-imidazol-1-yl-butyl)-naphthalen-2-yloxy]-2,2-dimethyl-propionic acid | CHEMBL208443
Type:
Small organic molecule
Emp. Form.:
C24H31N3O3
Mol. Mass.:
409.5212
SMILES:
CC[C@H]([C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1)N(C)C
Structure:
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