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TargetCytochrome P450 3A4
LigandBDBM50177015
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1582655 (CHEMBL3817096)
IC50 29430±n/a nM
Citation Zheng, YZhuang, LFan, KYTice, CMZhao, WDong, CLotesta, SDLeftheris, KLindblom, PRLiu, ZShimada, JNoto, PBMeng, SHardy, AHoward, LKrosky, PGuo, JLipinski, KKandpal, GBukhtiyarov, YZhao, YLala, DVan Orden, RZhou, JChen, GWu, ZMcKeever, BMMcGeehan, GMGregg, REClaremon, DASingh, SB Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR)ß Agonist. J Med Chem59:3264-71 (2016) [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:
BDBM50177015
n/a
NameBDBM50177015
Synonyms:CHEMBL3814206 | US10144715, Compound 19-1
TypeSmall organic molecule
Emp. Form.C21H27F3N4O4S
Mol. Mass.488.524
SMILESCC(C)[C@@H]1CN(CCN1c1ncc(CO)c(n1)C(F)(F)F)c1ccc(CO)c(c1)S(C)(=O)=O |r|
Structure
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