| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 1A2 |
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| Ligand | BDBM50451549 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2293134 |
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| EC50 | >50000±n/a nM |
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| Citation |  Wood, MR; Noetzel, MJ; Melancon, BJ; Poslusney, MS; Nance, KD; Hurtado, MA; Luscombe, VB; Weiner, RL; Rodriguez, AL; Lamsal, A; Chang, S; Bubser, M; Blobaum, AL; Engers, DW; Niswender, CM; Jones, CK; Brandon, NJ; Wood, MW; Duggan, ME; Conn, PJ; Bridges, TM; Lindsley, CW Discovery of VU0467485/AZ13713945: An M ACS Med Chem Lett8:233-238 (2017) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 1A2 |
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| Name: | Cytochrome P450 1A2 |
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| Synonyms: | CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3 |
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| Type: | Enzyme |
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| Mol. Mass.: | 58423.38 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P05177 |
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| Residue: | 516 |
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| Sequence: | MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
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| BDBM50451549 |
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| n/a |
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| Name | BDBM50451549 |
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| Synonyms: | CHEMBL4207737 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H17FN4O2S |
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| Mol. Mass. | 360.406 |
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| SMILES | COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F |
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| Structure | 
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