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TargetCytochrome P450 3A4
LigandBDBM50059449
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1460909 (CHEMBL3396729)
IC50 23000±n/a nM
Citation Carry, JCClerc, FMinoux, HSchio, LMauger, JNair, AParmantier, ELe Moigne, RDelorme, CNicolas, JPKrick, AAbécassis, PYCrocq-Stuerga, VPouzieux, SDelarbre, LMaignan, SBertrand, TBjergarde, KMa, NLachaud, SGuizani, HLebel, RDoerflinger, GMonget, SPerron, SGasse, FAngouillant-Boniface, OFiloche-Rommé, BMurer, MGontier, SPrévost, CMonteiro, MLCombeau, C SAR156497, an exquisitely selective inhibitor of aurora kinases. J Med Chem58:362-75 (2015) [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
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  Blast E-value cutoff:
BDBM50059449
n/a
NameBDBM50059449
Synonyms:CHEMBL3393478
TypeSmall organic molecule
Emp. Form.C25H19F3N4O4S
Mol. Mass.528.503
SMILESCCOC(=O)c1[nH]cc2C(c3ccc(Sc4nc5c(F)c(F)c(F)cc5[nH]4)o3)C3=C(CCCC3=O)Nc12 |t:31|
Structure
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