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Target
Cytochrome P450 3A4
Ligand
BDBM50192923
Substrate
n/a
Meas. Tech.
ChEMBL_1614026 (CHEMBL3855826)
IC50
>30000±n/a nM
Citation
 Couturier, C; Lair, C; Pellet, A; Upton, A; Kaneko, T; Perron, C; Cogo, E; Menegotto, J; Bauer, A; Scheiper, B; Lagrange, S; Bacqué, E Identification and optimization of a new series of anti-tubercular quinazolinones. Bioorg Med Chem Lett 26:5290-5299 (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:
BDBM50192923
Synonyms:
CHEMBL3930206
Type:
Small organic molecule
Emp. Form.:
C21H17Cl2N5O
Mol. Mass.:
426.299
SMILES:
Cn1c(NCCc2ccc(cc2)-c2ncc(Cl)cn2)nc2cc(Cl)ccc2c1=O
Structure:
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