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Target
Cytochrome P450 3A4
Ligand
BDBM518593
Substrate
n/a
Meas. Tech.
Inhibition for Cytochrome P450 Isoenzymes
IC50
>50000±n/a nM
Citation
 Zhang, Y; Wu, W; Yang, G; Li, Z; Sun, J; Li, J; Li, J; Chen, S 2,6-dioxaspiro [4,5] decane derivatives and preparation method therefor and pharmaceutical applications thereof US Patent  US11124523 Publication Date 9/21/2021 
Target
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:
MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESRDGTVSGA
  
Inhibitor
Name:
BDBM518593
Synonyms:
US11124523, Example (+)-28b
Type:
Small organic molecule
Emp. Form.:
C24H29FN2O2
Mol. Mass.:
396.4977
SMILES:
Fc1ccc(nc1)[C@]1(CCN[C@H]2CCc3ccccc23)CCO[C@]2(CCOC2)C1 |r|
Structure:
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