Reaction Details |
| Report a problem with these data |
Target | Cytochrome P450 3A4 |
---|
Ligand | BDBM50566354 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_2100085 (CHEMBL4808481) |
---|
IC50 | >20000±n/a nM |
---|
Citation | Priebbenow, DL; Mathiew, M; Shi, DH; Harjani, JR; Beveridge, JG; Chavchich, M; Edstein, MD; Duffy, S; Avery, VM; Jacobs, RT; Brand, S; Shackleford, DM; Wang, W; Zhong, L; Lee, G; Tay, E; Barker, H; Crighton, E; White, KL; Charman, SA; De Paoli, A; Creek, DJ; Baell, JB Discovery of Potent and Fast-Acting Antimalarial Bis-1,2,4-triazines. J Med Chem64:4150-4162 (2021) [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
|
|
|
BDBM50566354 |
---|
n/a |
---|
Name | BDBM50566354 |
Synonyms: | CHEMBL4853103 |
Type | Small organic molecule |
Emp. Form. | C13H19N7O2 |
Mol. Mass. | 305.3357 |
SMILES | CCCOc1nncc(n1)-c1cnnc(OCCN(C)C)n1 |
Structure |
|