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TargetCytochrome P450 3A
LigandBDBM50183225
Substrate/Competitorn/a
Meas. Tech.ChEMBL_355280
IC50 580±n/a nM
Citation Mulvihill MJKan JLCooke ABhagwat SBeck PBittner MCesario CKeane DLazarescu VNigro ANillson CPanicker BSmith VSrebernak MSun FLO'Connor MRusso SFischetti GVrkljan MWinski SCastelhano ALEmerson DGibson 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
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 3A
Name:Cytochrome P450 3A
Synonyms:Albendazole monooxygenase | Albendazole sulfoxidase | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | Cytochrome P450 3A4 (CYP3A4) | Cytochrome P450 HLp | Nifedipine oxidase | Quinine 3-monooxygenase | Taurochenodeoxycholate 6-alpha-hydroxylase
Type:Enzyme
Mol. Mass.:57349.57
Organism:Homo sapiens (Human)
Description:n/a
Residue:503
Sequence:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50183225
n/a
NameBDBM50183225
Synonyms:3-(6-((1R,2R)-2-(diethylamino)-1-(1H-imidazol-1-yl)propyl)naphthalen-2-yloxy)-2,2-dimethylpropanoic acid | CHEMBL208155
TypeSmall organic molecule
Emp. Form.C25H33N3O3
Mol. Mass.423.5478
SMILESCCN(CC)[C@H](C)[C@@H](c1ccc2cc(OCC(C)(C)C(O)=O)ccc2c1)n1ccnc1
Structure
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