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TargetCytochrome P450 3A
LigandBDBM50330011
Substrate/Competitorn/a
Meas. Tech.ChEMBL_676065
IC50 0.3±n/a nM
Citation Li HXu RCole DClader JWGreenlee WJNomeir AASong LZhang L Design, synthesis, and structure-activity relationship studies of N-arylsulfonyl morpholines as¿-secretase inhibitors. Bioorg Med Chem Lett 20:6606-9 (2010) [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:
BDBM50330011
n/a
NameBDBM50330011
Synonyms:1-((3R,5R)-4-(4-chlorophenylsulfonyl)-5-isopropylmorpholin-3-yl)cyclopropyl piperazine-1-carboxylate | CHEMBL1271703
TypeSmall organic molecule
Emp. Form.C21H30ClN3O5S
Mol. Mass.471.998
SMILESCC(C)[C@@H]1COC[C@@H](N1S(=O)(=O)c1ccc(Cl)cc1)C1(CC1)OC(=O)N1CCNCC1 |r|
Structure
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