Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 3A
LigandBDBM50239717
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1666757
IC50>20000±n/a nM
Citation Liu QShi QMarcoux DBatt DGCornelius LQin LYRuan ZNeels JBeaudoin-Bertrand MSrivastava ASLi LCherney RJGong HWatterson SHWeigelt CGillooly KMMcIntyre KWXie JHObermeier MTFura ASleczka BStefanski KFancher RMPadmanabhan SRp TKundu IRajareddy KSmith RHennan JKXing DFan JLevesque PCRuan QPitt SZhang RPedicord DPan JYarde MLu HLippy JGoldstine CSkala SRampulla RAMathur AGupta AArunachalam PNSack JSMuckelbauer JKCvijic MESalter-Cid LMBhide RSPoss MAHynes JCarter PHMacor JERuepp SSchieven GLTino JA Identification of a Potent, Selective, and Efficacious Phosphatidylinositol 3-Kinase? (PI3K?) Inhibitor for the Treatment of Immunological Disorders. J Med Chem 60:5193-5208 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 3A
Name:Cytochrome P450 3A
Synonyms:Albendazole monooxygenase | Albendazole sulfoxidase | CYP3A4 | CYPIIIA3 | CYPIIIA4 | Cytochrome P450 3A3 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | 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:
BDBM50239717
n/a
NameBDBM50239717
Synonyms:CHEMBL4059848 | US10214537, Example 657
TypeSmall organic molecule
Emp. Form.C25H25F3N8O2
Mol. Mass.526.5136
SMILESCC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: