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Target
Cytochrome P450 3A4
Ligand
BDBM50337038
Substrate
n/a
Meas. Tech.
ChEMBL_718741 (CHEMBL1680960)
IC50
>50000±n/a nM
Citation
 Qin, J; Rao, A; Chen, X; Zhu, X; Liu, Z; Huang, X; Degrado, S; Huang, Y; Xiao, D; Aslanian, R; Cheewatrakoolpong, B; Zhang, H; Greenfeder, S; Farley, C; Cook, J; Kurowski, S; Li, Q; Heek, Mv; Chintala, M; Wang, G; Hsieh, Y; Li, F Discovery of a Potent Nicotinic Acid Receptor Agonist for the Treatment of Dyslipidemia ACS Med Chem Lett 2:171-176 (2011) [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:
BDBM50337038
Synonyms:
5-(3-cyclopropylpropyl)-2-(difluoromethyl)-3H-pyrano[2,3-d]pyrimidine-4,7-dione | CHEMBL1671877
Type:
Small organic molecule
Emp. Form.:
C14H14F2N2O3
Mol. Mass.:
296.2694
SMILES:
FC(F)c1nc2oc(=O)cc(CCCC3CC3)c2c(=O)[nH]1
Structure:
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