| Reaction Details |
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 | Report a problem with these data |
| Target | Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial |
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| Ligand | BDBM50535673 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1931011 (CHEMBL4434262) |
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| IC50 | >30000±n/a nM |
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| Citation |  Kawai, J; Ota, M; Ohki, H; Toki, T; Suzuki, M; Shimada, T; Matsui, S; Inoue, H; Sugihara, C; Matsuhashi, N; Matsui, Y; Takaishi, S; Nakayama, K Structure-Based Design and Synthesis of an Isozyme-Selective MTHFD2 Inhibitor with a Tricyclic Coumarin Scaffold. ACS Med Chem Lett10:893-898 (2019) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial |
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| Name: | Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial |
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| Synonyms: | Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial | MTDC_HUMAN | MTHFD2 | Methenyltetrahydrofolate cyclohydrolase | NAD-dependent methylenetetrahydrofolate dehydrogenase | NMDMC |
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| Type: | PROTEIN |
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| Mol. Mass.: | 37904.22 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_109900 |
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| Residue: | 350 |
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| Sequence: | MAATSLMSALAARLLQPAHSCSLRLRPFHLAAVRNEAVVISGRKLAQQIKQEVRQEVEEW
VASGNKRPHLSVILVGENPASHSYVLNKTRAAAVVGINSETIMKPASISEEELLNLINKL
NNDDNVDGLLVQLPLPEHIDERRICNAVSPDKDVDGFHVINVGRMCLDQYSMLPATPWGV
WEIIKRTGIPTLGKNVVVAGRSKNVGMPIAMLLHTDGAHERPGGDATVTISHRYTPKEQL
KKHTILADIVISAAGIPNLITADMIKEGAAVIDVGINRVHDPVTAKPKLVGDVDFEGVRQ
KAGYITPVPGGVGPMTVAMLMKNTIIAAKKVLRLEEREVLKSKELGVATN
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| BDBM50535673 |
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| n/a |
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| Name | BDBM50535673 |
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| Synonyms: | CHEMBL4517616 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H17N5O4 |
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| Mol. Mass. | 415.4015 |
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| SMILES | O=C(N1CCc2nc([nH]c(=O)c2C1)-c1ccccc1)c1ccc(cc1)-c1noc(=O)[nH]1 |
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| Structure | 
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