Reaction Details |
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Target | Cytochrome P450 3A4 |
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Ligand | BDBM50520253 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1879562 (CHEMBL4380956) |
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IC50 | >30000±n/a nM |
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Citation | Kwiatkowski, J; Liu, B; Pang, S; Ahmad, NHB; Wang, G; Poulsen, A; Yang, H; Poh, YR; Tee, DHY; Ong, E; Retna, P; Dinie, N; Kwek, P; Wee, JLK; Manoharan, V; Low, CB; Seah, PG; Pendharkar, V; Sangthongpitag, K; Joy, J; Baburajendran, N; Jansson, AE; Nacro, K; Hill, J; Keller, TH; Hung, AW Stepwise Evolution of Fragment Hits against MAPK Interacting Kinases 1 and 2. J Med Chem63:621-637 (2020) [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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BDBM50520253 |
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n/a |
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Name | BDBM50520253 |
Synonyms: | CHEMBL4587832 |
Type | Small organic molecule |
Emp. Form. | C21H22N4O3 |
Mol. Mass. | 378.4244 |
SMILES | CC(C)Oc1cc(ccc1C(N)=O)-c1cncc(c1)-c1cnn(c1)C1COC1 |
Structure |
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