Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50257145 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_1689465 |
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IC50 | 16000±n/a nM |
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Citation | Ho, SY; Alam, J; Jeyaraj, DA; Wang, W; Lin, GR; Ang, SH; Tan, ESW; Lee, MA; Ke, Z; Madan, B; Virshup, DM; Ding, LJ; Manoharan, V; Chew, YS; Low, CB; Pendharkar, V; Sangthongpitag, K; Hill, J; Keller, TH; Poulsen, A Scaffold Hopping and Optimization of Maleimide Based Porcupine Inhibitors. J Med Chem60:6678-6692 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 3A4 |
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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: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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BDBM50257145 |
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n/a |
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Name | BDBM50257145 |
Synonyms: | CHEMBL4095609 |
Type | Small organic molecule |
Emp. Form. | C21H19FN6O3 |
Mol. Mass. | 422.4124 |
SMILES | Fc1cncc(c1)-c1ccc(NC(=O)CN2CCCC3=C2C(=O)N(C2CC2)C3=O)nn1 |c:20| |
Structure |
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