Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 3A4
LigandBDBM50314274
Substrate/Competitorn/a
Meas. Tech.ChEMBL_624295 (CHEMBL1106980)
IC50>10000±n/a nM
Citation Moree, WJ; Jovic, F; Coon, T; Yu, J; Li, BF; Tucci, FC; Marinkovic, D; Gross, RS; Malany, S; Bradbury, MJ; Hernandez, LM; O'Brien, Z; Wen, J; Wang, H; Hoare, SR; Petroski, RE; Sacaan, A; Madan, A; Crowe, PD; Beaton, G Novel benzothiophene H1-antihistamines for the treatment of insomnia. Bioorg Med Chem Lett20:2316-20 (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:
BDBM50314274
n/a
NameBDBM50314274
Synonyms:(-)-(R)-2-(3-(1-(2-methoxypyridin-3-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine | CHEMBL1093294
TypeSmall organic molecule
Emp. Form.C20H24N2OS
Mol. Mass.340.482
SMILESCOc1ncccc1[C@@H](C)c1c(CCN(C)C)sc2ccccc12 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: