| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 3A4 |
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| Ligand | BDBM50451337 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1744980 (CHEMBL4179490) |
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| IC50 | 90±n/a nM |
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| Citation |  Lawhorn, BG; Tran, T; Hong, VS; Morgan, LA; Le, BT; Harpel, MR; Jolivette, L; Diaz, E; Schwartz, B; Gross, JW; Tomaszek, T; Semus, S; Concha, N; Smallwood, A; Holt, DA; Kallander, LS Discovery of renin inhibitors containing a simple aspartate binding moiety that imparts reduced P450 inhibition. Bioorg Med Chem Lett27:4838-4843 (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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 57349.57 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 503 |
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| Sequence: | MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMF
DMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISI
AEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYS
MDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICV
FPREVTNFLRKSVKRMKESRLEDTQKHRVDFLQLMIDSQNSKETESHKALSDLELVAQSI
IFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVV
NETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFS
KKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLG
GLLQPEKPVVLKVESRDGTVSGA
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| BDBM50451337 |
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| n/a |
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| Name | BDBM50451337 |
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| Synonyms: | CHEMBL4204601 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H42FN3O4 |
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| Mol. Mass. | 539.6813 |
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| SMILES | [H][C@]1(CCCN(C1)C(=O)[C@@H]1CC[C@H](N)C1)C(O)(CCCNC(=O)OC)c1cccc(F)c1-c1cccc(CC)c1 |r| |
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| Structure | 
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