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TargetCytochrome P450 3A
LigandBDBM50377227
Substrate/Competitorn/a
Meas. Tech.ChEMBL_479364
IC50 1000±n/a nM
Citation McAtee JJDodson JWDowdell SEGirard GRGoodman KBHilfiker MASehon CASha DWang GZWang NViet AQZhang DAiyar NVBehm DJCarballo LHEvans CAFries HENagilla RRoethke TJXu XYuan CCDouglas SANeeb MJ Development of potent and selective small-molecule human Urotensin-II antagonists. Bioorg Med Chem Lett 18:3500-3 (2008) [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:
BDBM50377227
n/a
NameBDBM50377227
Synonyms:CHEMBL255462
TypeSmall organic molecule
Emp. Form.C25H28ClN3O2S
Mol. Mass.470.027
SMILESClc1ccc2sc(=O)n(CC(=O)N3CCCC(C3CN3CCCC3)c3ccccc3)c2c1 |w:16.25,17.18|
Structure
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