Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM143080
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.4±n/a
IC50
2180±n/a nM
Comments
extracted
Citation
 Chung, J; Kim, M; Lee, Y; Ma, S; Cho, Y; Lee, S; Na, Y; Kang, M; Park, W Compound of a reverse-turn mimetic and a production method and use therefor US Patent  US8940739 Publication Date 1/27/2015 
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:
BDBM143080
Synonyms:
US8940739, F-48
Type:
Small organic molecule
Emp. Form.:
C43H47N9O5
Mol. Mass.:
769.8906
SMILES:
CN(C)c1cc(CNC(=O)c2cn(C)c3c(CN4C[C@@H]5N(N(CC=C)CC(=O)N5[C@@H](Cc5ccc(O)cc5)C4=O)C(=O)NCc4ccccc4)cccc23)ccn1 |r|
Structure:
Search PDB for entries with ligand similarity: