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TargetCytochrome P450 3A4
LigandBDBM50297309
Substrate/Competitorn/a
Meas. Tech.ChEMBL_760135 (CHEMBL1815391)
IC50>10000±n/a nM
Citation Moree, WJLi, BFZamani-Kord, SYu, JCoon, THuang, CMarinkovic, DTucci, FCMalany, SBradbury, MJHernandez, LMWen, JWang, HHoare, SRPetroski, REJalali, KYang, CSacaan, AMadan, ACrowe, PDBeaton, G Identification of a novel selective H1-antihistamine with optimized pharmacokinetic properties for clinical evaluation in the treatment of insomnia. Bioorg Med Chem Lett20:5874-8 (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:
BDBM50297309
n/a
NameBDBM50297309
Synonyms:(-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine | (-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzo[b]thiophen-2-yl]-ethyl}-amine | CHEMBL564144
TypeSmall organic molecule
Emp. Form.C19H22N2S
Mol. Mass.310.456
SMILESC[C@H](c1c(CCN(C)C)sc2ccccc12)c1ccccn1 |r|
Structure
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