Reaction Details |
| Report a problem with these data |
Target | Cytochrome P450 3A4 |
---|
Ligand | BDBM50300542 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_588720 (CHEMBL1059329) |
---|
Ki | 580±n/a nM |
---|
Citation | McNulty, J; Nair, JJ; Singh, M; Crankshaw, DJ; Holloway, AC Structure-activity studies on seco-pancratistatin analogs: potent inhibitors of human cytochrome P450 3A4. Bioorg Med Chem Lett19:5607-12 (2009) [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
|
|
|
BDBM50300542 |
---|
n/a |
---|
Name | BDBM50300542 |
Synonyms: | CHEMBL583954 | N-((2R,3R)-2-(benzo[d][1,3]dioxol-5-yl)-3-((4S,5S)-5-((tert-butyldiphenylsilyloxy)methyl)-2,2-dimethyl-1,3-dioxolan-4-yl)-3-(methoxymethoxy)propyl)benzamide |
Type | Small organic molecule |
Emp. Form. | C41H49NO8Si |
Mol. Mass. | 711.9152 |
SMILES | COCO[C@H]([C@@H](CNC(=O)c1ccccc1)c1ccc2OCOc2c1)[C@@H]1OC(C)(C)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C |r| |
Structure |
|