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Target
Cytochrome P450 3A4
Ligand
BDBM50428871
Substrate
n/a
Meas. Tech.
ChEMBL_945618 (CHEMBL2344952)
IC50
360±n/a nM
Citation
 Taygerly, JP; McGee, LR; Rubenstein, SM; Houze, JB; Cushing, TD; Li, Y; Motani, A; Chen, JL; Frankmoelle, W; Ye, G; Learned, MR; Jaen, J; Miao, S; Timmermans, PB; Thoolen, M; Kearney, P; Flygare, J; Beckmann, H; Weiszmann, J; Lindstrom, M; Walker, N; Liu, J; Biermann, D; Wang, Z; Hagiwara, A; Iida, T; Aramaki, H; Kitao, Y; Shinkai, H; Furukawa, N; Nishiu, J; Nakamura, M Discovery of INT131: a selective PPAR¿ modulator that enhances insulin sensitivity. Bioorg Med Chem 21:979-92 (2013) [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:
BDBM50428871
Synonyms:
CHEMBL2331785
Type:
Small organic molecule
Emp. Form.:
C21H18Cl3N3O4S
Mol. Mass.:
514.809
SMILES:
CCNC(=O)c1cc(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
Structure:
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