Reaction Details Report a problem with these data
Target
Cytochrome P450 3A4
Ligand
BDBM329203
Substrate
n/a
Meas. Tech.
ChEMBL_1925819 (CHEMBL4428891)
IC50
>50000±n/a nM
Citation
 DiMauro, EF; Altmann, S; Berry, LM; Bregman, H; Chakka, N; Chu-Moyer, M; Bojic, EF; Foti, RS; Fremeau, R; Gao, H; Gunaydin, H; Guzman-Perez, A; Hall, BE; Huang, H; Jarosh, M; Kornecook, T; Lee, J; Ligutti, J; Liu, D; Moyer, BD; Ortuno, D; Rose, PE; Schenkel, LB; Taborn, K; Wang, J; Wang, Y; Yu, V; Weiss, MM Application of a Parallel Synthetic Strategy in the Discovery of Biaryl Acyl Sulfonamides as Efficient and Selective NaV1.7 Inhibitors. J Med Chem 59:7818-39 (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:
BDBM329203
Synonyms:
4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridin-3-yl)-2-Fluoro-5-Methoxy-N-(Methylsulfonyl)Benzamide | 4-(5-chloro-6-(2,5-difluorophenoxy)-3-pyridinyl)-2-fluoro-5-methoxy-N-(methylsulfonyl)benzamide | US9663508, Example 705
Type:
Small organic molecule
Emp. Form.:
C20H14ClF3N2O5S
Mol. Mass.:
486.849
SMILES:
COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Structure:
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