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Target
Cytochrome P450 3A4
Ligand
BDBM50365396
Substrate
n/a
Meas. Tech.
ChEMBL_806086 (CHEMBL1960689)
IC50
139000±n/a nM
Citation
 Dunn, D; Hostetler, G; Iqbal, M; Messina-McLaughlin, P; Reiboldt, A; Lin, YG; Gruner, J; Bacon, ER; Ator, MA; Chatterjee, S Wake-promoting agents: search for next generation modafinil: part II. Bioorg Med Chem Lett 22:2315-7 (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:
BDBM50365396
Synonyms:
CHEMBL1956397
Type:
Small organic molecule
Emp. Form.:
C15H14ClNO2S
Mol. Mass.:
307.795
SMILES:
NC(=O)CS(=O)Cc1ccccc1-c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: