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TargetCytochrome P450 3A
LigandBDBM50340409
Substrate/Competitorn/a
Meas. Tech.ChEMBL_741042
IC50 27600±n/a nM
Citation Aspiotis RChen ACauchon EDubé DFalgueyret JPGagné SGallant MGrimm ELHoule RJuteau HLacombe PLaliberté SLévesque JFMacDonald DMcKay DPercival MDRoy PSoisson SMWu T The discovery and synthesis of potent zwitterionic inhibitors of renin. Bioorg Med Chem Lett 21:2430-6 (2011) [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:
BDBM50340409
n/a
NameBDBM50340409
Synonyms:(3R,4S)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)phenyl)-N-(3-(3-methoxypropyl)-5-(3-(methylsulfonamido)propoxy)benzyl)piperidine-3-carboxamide | CHEMBL1761521
TypeSmall organic molecule
Emp. Form.C39H51Cl2N3O7S
Mol. Mass.776.809
SMILESCOCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)cc(OCCCNS(C)(=O)=O)c1 |r|
Structure
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