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Target
Cytochrome P450 3A4
Ligand
BDBM208326
Substrate
n/a
Meas. Tech.
ChEMBL_1803976 (CHEMBL4276268)
IC50
>10000±n/a nM
Citation
 Zhang, YM; Greco, MN; Macielag, MJ; Teleha, CA; DesJarlais, RL; Tang, Y; Ho, G; Hou, C; Chen, C; Zhao, S; Kauffman, J; Camacho, R; Qi, J; Murray, W; Demarest, K; Leonard, J 6-Benzhydryl-4-amino-quinolin-2-ones as Potent Cannabinoid Type 1 (CB J Med Chem 61:10276-10298 (2018) [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:
BDBM208326
Synonyms:
US9266835, 28
Type:
Small organic molecule
Emp. Form.:
C28H18ClF3N2OS
Mol. Mass.:
522.969
SMILES:
FC(F)(F)c1ccc(\C=C\c2cc(=O)[nH]c3ccc(cc23)C(c2nccs2)c2ccc(Cl)cc2)cc1
Structure:
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