Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM50546134
Substrate
n/a
Meas. Tech.
ChEMBL_2014369 (CHEMBL4667947)
IC50
159±n/a nM
Citation
 Meyers, MJ; Liu, J; Liu, Z; Ma, H; Dai, L; Adah, D; Zhao, S; Li, X; Liu, X; Lu, Y; Huang, Y; Tu, Z; Chen, X; Tortorella, MD 4-Aryl Pyrrolidines as Novel Orally Efficacious Antimalarial Agents. Part 2: 2-Aryl- ACS Med Chem Lett 10:966-971 (2019) [PubMed]  Article 
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:
BDBM50546134
Synonyms:
CHEMBL4755729
Type:
Small organic molecule
Emp. Form.:
C20H24F5N3OS
Mol. Mass.:
449.481
SMILES:
CN(C)c1ccc(CC(=O)N[C@@H]2CNC[C@H]2c2ccc(cc2)S(F)(F)(F)(F)F)cc1 |r|
Structure:
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