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Target
Cytochrome P450 3A4
Ligand
BDBM50359741
Substrate
n/a
Meas. Tech.
ChEMBL_791534 (CHEMBL1930587)
IC50
>100000±n/a nM
Citation
 Tani, N; Rahnasto-Rilla, M; Wittekindt, C; Salminen, KA; Ritvanen, A; Ollakka, R; Koskiranta, J; Raunio, H; Juvonen, RO Antifungal activities of novel non-azole molecules against S. cerevisiae and C. albicans. Eur J Med Chem 47:270-7 (2012) [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:
BDBM50359741
Synonyms:
CHEMBL1928095
Type:
Small organic molecule
Emp. Form.:
C27H22N2O2S
Mol. Mass.:
438.541
SMILES:
COc1ccc(cc1OC)-c1sc(\N=C\c2ccc(cc2)-c2ccccc2)c(C#N)c1C
Structure:
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