| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 1A2 |
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| Ligand | BDBM50316148 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1733794 (CHEMBL4149330) |
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| IC50 | 20000±n/a nM |
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| Citation |  Collibee, SE; Bergnes, G; Muci, A; Browne, WF; Garard, M; Hinken, AC; Russell, AJ; Suehiro, I; Hartman, J; Kawas, R; Lu, PP; Lee, KH; Marquez, D; Tomlinson, M; Xu, D; Kennedy, A; Hwee, D; Schaletzky, J; Leung, K; Malik, FI; Morgans, DJ; Morgan, BP Discovery of ACS Med Chem Lett9:354-358 (2018) [PubMed] Article |
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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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| BDBM50316148 |
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| n/a |
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| Name | BDBM50316148 |
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| Synonyms: | CK-2017357 | Tirasemtiv |
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| Type | Small organic molecule |
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| Emp. Form. | C12H14N4O |
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| Mol. Mass. | 230.2658 |
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| SMILES | CCC(CC)n1c(O)nc2ncc(nc12)C#C |
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| Structure | 
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