| Reaction Details |
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 | Report a problem with these data |
| Target | Ketohexokinase |
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| Ligand | BDBM494920 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Biological Assay |
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| IC50 | 19.0±n/a nM |
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| Citation |  Dowling, M; Fernando, D; Futatsugi, K; Huard, K; Magee, TV; Raymer, B; Shavnya, A; Smith, A; Thuma, B; Tsai, A; Tu, M Substituted 3-azabicyclo[3.1.0]hexanes as ketohexokinase inhibitors US Patent US10988463 Publication Date 4/27/2021 |
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| More Info.: | Get all data from this article, Assay Method |
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| Ketohexokinase |
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| Name: | Ketohexokinase |
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| Synonyms: | Hepatic fructokinase | KHK | KHK_HUMAN | Ketohexokinase | Ketohexokinase (KHK) | Ketohexokinase (KHK) Isoform C |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 32521.64 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 298 |
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| Sequence: | MEEKQILCVGLVVLDVISLVDKYPKEDSEIRCLSQRWQRGGNASNSCTVLSLLGAPCAFM
GSMAPGHVADFLVADFRRRGVDVSQVAWQSKGDTPSSCCIINNSNGNRTIVLHDTSLPDV
SATDFEKVDLTQFKWIHIEGRNASEQVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELF
QLFGYGDVVFVSKDVAKHLGFQSAEEALRGLYGRVRKGAVLVCAWAEEGADALGPDGKLL
HSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDGIV
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| BDBM494920 |
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| n/a |
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| Name | BDBM494920 |
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| Synonyms: | US10988463, Example 54 | [(1R,5S,6R)-3-{5-cyano-4-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-yl}-3-azabicyclo[3.1.0]hex-6-yl]acetic acid |
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| Type | Small organic molecule |
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| Emp. Form. | C17H18F3N5O3 |
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| Mol. Mass. | 397.3517 |
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| SMILES | C[C@H]1[C@H](O)CN1c1nc(nc(c1C#N)C(F)(F)F)N1CC2C(CC(O)=O)C2C1 |
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| Structure | 
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