| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 1A2 |
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| Ligand | BDBM50441232 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_984534 (CHEMBL2433740) |
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| IC50 | 5300±n/a nM |
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| Citation |  Turlington, M; Noetzel, MJ; Chun, A; Zhou, Y; Gogliotti, RD; Nguyen, ED; Gregory, KJ; Vinson, PN; Rook, JM; Gogi, KK; Xiang, Z; Bridges, TM; Daniels, JS; Jones, C; Niswender, CM; Meiler, J; Conn, PJ; Lindsley, CW; Stauffer, SR Exploration of allosteric agonism structure-activity relationships within an acetylene series of metabotropic glutamate receptor 5 (mGlu5) positive allosteric modulators (PAMs): discovery of 5-((3-fluorophenyl)ethynyl)-N-(3-methyloxetan-3-yl)picolinamide (ML254). J Med Chem56:7976-96 (2013) [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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| BDBM50441232 |
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| n/a |
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| Name | BDBM50441232 |
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| Synonyms: | CHEMBL2431173 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H15FN2O2 |
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| Mol. Mass. | 310.3223 |
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| SMILES | CC1(COC1)NC(=O)c1ccc(cn1)C#Cc1cccc(F)c1 |
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| Structure | 
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