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Target
Cytochrome P450 3A4
Ligand
BDBM106971
Substrate
n/a
Meas. Tech.
ChEMBL_1433194 (CHEMBL3387594)
IC50
17000±n/a nM
Citation
 Roecker, AJ; Reger, TS; Mattern, MC; Mercer, SP; Bergman, JM; Schreier, JD; Cube, RV; Cox, CD; Li, D; Lemaire, W; Bruno, JG; Harrell, CM; Garson, SL; Gotter, AL; Fox, SV; Stevens, J; Tannenbaum, PL; Prueksaritanont, T; Cabalu, TD; Cui, D; Stellabott, J; Hartman, GD; Young, SD; Winrow, CJ; Renger, JJ; Coleman, PJ Discovery of MK-3697: a selective orexin 2 receptor antagonist (2-SORA) for the treatment of insomnia. Bioorg Med Chem Lett 24:4884-90 (2014) [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:
BDBM106971
Synonyms:
US8592457, 7-5
Type:
Small organic molecule
Emp. Form.:
C23H21N5O3S
Mol. Mass.:
447.51
SMILES:
COc1ccc(CNC(=O)c2cc(ncc2-c2nccs2)-c2cncc(C)c2)nc1OC
Structure:
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