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Target
Cytochrome P450 3A4
Ligand
BDBM370489
Substrate
n/a
Meas. Tech.
ChEMBL_1866289 (CHEMBL4367264)
IC50
1200±n/a nM
Citation
 Kumar, S; Waldo, JP; Jaipuri, FA; Marcinowicz, A; Van Allen, C; Adams, J; Kesharwani, T; Zhang, X; Metz, R; Oh, AJ; Harris, SF; Mautino, MR Discovery of Clinical Candidate (1 J Med Chem 62:6705-6733 (2019) [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:
BDBM370489
Synonyms:
1-(4,4-difluorocyclohexyl)-2-(5H-imidazo[5,1- a]isoindol-5-yl)ethanol; | US10233190, Example 1407
Type:
Small organic molecule
Emp. Form.:
C18H20F2N2O
Mol. Mass.:
318.361
SMILES:
OC(CC1c2ccccc2-c2cncn12)C1CCC(F)(F)CC1
Structure:
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