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Target
Cytochrome P450 3A4
Ligand
BDBM50204042
Substrate
n/a
Meas. Tech.
ChEMBL_1625987 (CHEMBL3868456)
IC50
13200±n/a nM
Citation
 Wu, WL; Burnett, DA; Clader, J; Greenlee, WJ; Jiang, Q; Hyde, LA; Del Vecchio, RA; Cohen-Williams, ME; Song, L; Lee, J; Terracina, G; Zhang, Q; Nomeir, A; Parker, EM; Zhang, L Design and synthesis of water solubleß-aminosulfone analogues of SCH 900229 as¿-secretase inhibitors. Bioorg Med Chem Lett 26:5836-5841 (2016) [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:
BDBM50204042
Synonyms:
CHEMBL3916230
Type:
Small organic molecule
Emp. Form.:
C24H25ClF2N2O6S2
Mol. Mass.:
575.045
SMILES:
[H][C@@]12COc3c(F)ccc(F)c3[C@@]1(CCO[C@H]2CCS(=O)(=O)CC1=NCCN1)S(=O)(=O)c1ccc(Cl)cc1 |r,t:26|
Structure:
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