Reaction Details
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Cytochrome P450 3A4
Ligand
BDBM409569
Substrate
n/a
Meas. Tech.
ChEMBL_1839448 (CHEMBL4339663)
IC50
>10000±n/a nM
Citation
Chrovian, CC; Soyode-Johnson, A; Wall, JL; Rech, JC; Schoellerman, J; Lord, B; Coe, KJ; Carruthers, NI; Nguyen, L; Jiang, X; Koudriakova, T; Balana, B; Letavic, MA 1 ACS Med Chem Lett 10:261-266 (2019) [PubMed] Article More Info.:
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:
BDBM409569
Synonyms:
N,N-Dimethyl-2-[6-[3-(trifluoromethyl)phenyl]pyrrolo[3,2- | US10377753, Example 435
Type:
Small organic molecule
Emp. Form.:
C18H16F3N3O
Mol. Mass.:
347.3343
SMILES:
CN(C)C(=O)Cn1ccc2ncc(cc12)-c1cccc(c1)C(F)(F)F
Structure:
