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TargetCytochrome P450 3A4
LigandBDBM50328859
Substrate/Competitorn/a
Meas. Tech.ChEMBL_673952 (CHEMBL1275129)
IC50 5100±n/a nM
Citation Corminboeuf, OBezençon, OGrisostomi, CRemen, LRichard-Bildstein, SBur, DPrade, LHess, PStrickner, PFischli, WSteiner, BTreiber, A Design and optimization of new piperidines as renin inhibitors. Bioorg Med Chem Lett20:6286-90 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 3A4
Name:Cytochrome P450 3A4
Synonyms:Albendazole monooxygenase | Albendazole sulfoxidase | CP3A4_HUMAN | CYP3A3 | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | 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:
BDBM50328859
n/a
NameBDBM50328859
Synonyms:(3R,4S)-N-(5-(acetamidomethyl)-2-chlorobenzyl)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)phenyl)piperidine-3-carboxamide | CHEMBL1269687
TypeSmall organic molecule
Emp. Form.C34H38Cl3N3O4
Mol. Mass.659.042
SMILESCC(=O)NCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1 |r|
Structure
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