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TargetCytochrome P450 3A4
LigandBDBM50132507
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1527451 (CHEMBL3636982)
IC50>30000±n/a nM
Citation Malosh, CTurlington, MBridges, TMRook, JMNoetzel, MJVinson, PNSteckler, TLavreysen, HMackie, CBartolomé-Nebreda, JMConde-Ceide, SMartínez-Viturro, CMPiedrafita, MSánchez-Casado, MRMacdonald, GJDaniels, JSJones, CKNiswender, CMConn, PJLindsley, CWStauffer, SR Acyl dihydropyrazolo[1,5-a]pyrimidinones as metabotropic glutamate receptor 5 positive allosteric modulators. Bioorg Med Chem Lett25:5115-20 (2015) [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:
BDBM50132507
n/a
NameBDBM50132507
Synonyms:CHEMBL3633943
TypeSmall organic molecule
Emp. Form.C15H17N3O2
Mol. Mass.271.3144
SMILESCC(=O)N1CCCn2nc(COc3ccccc3)cc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: