Target
Cytochrome P450 3A4
Ligand
BDBM50314264
Substrate
n/a
Meas. Tech.
ChEMBL_624295 (CHEMBL1106980)
IC50
>10000±n/a nM
Citation
 Moree, WJJovic, FCoon, TYu, JLi, BFTucci, FCMarinkovic, DGross, RSMalany, SBradbury, MJHernandez, LMO'Brien, ZWen, JWang, HHoare, SRPetroski, RESacaan, AMadan, ACrowe, PDBeaton, G Novel benzothiophene H1-antihistamines for the treatment of insomnia. Bioorg Med Chem Lett 20:2316-20 (2010) [PubMed]  Article 
Target
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:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA
  
Inhibitor
Name:
BDBM50314264
Synonyms:
(-)-(R)-2-(1-(2-(2-(azetidin-1-yl)ethyl)benzo[b]thiophen-3-yl)ethyl)pyridine | CHEMBL1091775
Type:
Small organic molecule
Emp. Form.:
C20H22N2S
Mol. Mass.:
322.467
SMILES:
C[C@H](c1c(CCN2CCC2)sc2ccccc12)c1ccccn1 |r|
Structure:
Search PDB for entries with ligand similarity: