Reaction Details |
![](/images/Email.png) | Report a problem with these data |
Target | Cytochrome P450 3A4 |
---|
Ligand | BDBM50468042 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_1797910 (CHEMBL4270027) |
---|
IC50 | 5500±n/a nM |
---|
Citation | Mandal, M; Mitra, K; Grotz, D; Lin, X; Palamanda, J; Kumari, P; Buevich, A; Caldwell, JP; Chen, X; Cox, K; Favreau, L; Hyde, L; Kennedy, ME; Kuvelkar, R; Liu, X; Mazzola, RD; Parker, E; Rindgen, D; Sherer, E; Wang, H; Zhu, Z; Stamford, AW; Cumming, JN Overcoming Time-Dependent Inhibition (TDI) of Cytochrome P450 3A4 (CYP3A4) Resulting from Bioactivation of a Fluoropyrimidine Moiety. J Med Chem61:10700-10708 (2018) [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
|
|
|
BDBM50468042 |
---|
n/a |
---|
Name | BDBM50468042 |
Synonyms: | CHEMBL4294969 |
Type | Small organic molecule |
Emp. Form. | C22H17ClFN7OS |
Mol. Mass. | 481.933 |
SMILES | [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1ccc(Cl)c(c1)C#N)c1ncc(F)cn1 |r| |
Structure |
|