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Target
Cytochrome P450 3A4
Ligand
BDBM50502393
Substrate
n/a
Meas. Tech.
ChEMBL_2123878 (CHEMBL4833111)
IC50
>30000±n/a nM
Citation
 Narjes, F; Llinas, A; von Berg, S; Jirholt, J; Lever, S; Pehrson, R; Collins, M; Malmberg, A; Svanberg, P; Xue, Y; Olsson, RI; Malmberg, J; Hughes, G; Hossain, N; Grindebacke, H; Leffler, A; Krutrök, N; Bäck, E; Ramnegård, M; Lepistö, M; Thunberg, L; Aagaard, A; McPheat, J; Hansson, EL; Chen, R; Xiong, Y; Hansson, TG AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2. J Med Chem 64:13807-13829 (2021) [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:
BDBM50502393
Synonyms:
CHEMBL4562895
Type:
Small organic molecule
Emp. Form.:
C21H20F6N2O5S
Mol. Mass.:
526.449
SMILES:
CCS(=O)(=O)c1ccc(cc1)[C@@H](NC(C)=O)C(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F |r|
Structure:
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