| Reaction Details |
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 | Report a problem with these data |
| Target | Isoform A of Ketohexokinase (Peripheral) |
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| Ligand | BDBM319603 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Biological Assay |
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| IC50 | 48.6±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 US10787438 Publication Date 9/29/2020 |
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| More Info.: | Get all data from this article, Assay Method |
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| Isoform A of Ketohexokinase (Peripheral) |
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| Name: | Isoform A of Ketohexokinase (Peripheral) |
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| Synonyms: | KHK | KHK_HUMAN | Ketohexokinase (KHK) Isoform A | Ketohexokinase (Peripheral) |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 32727.42 |
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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
GSMAPGHVADFVLDDLRRYSVDLRYTVFQTTGSVPIATVIINEASGSRTILYYDRSLPDV
SATDFEKVDLTQFKWIHIEGRNASEQVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELF
QLFGYGDVVFVSKDVAKHLGFQSAEEALRGLYGRVRKGAVLVCAWAEEGADALGPDGKLL
HSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDGIV
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| BDBM319603 |
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| n/a |
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| Name | BDBM319603 |
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| Synonyms: | US10174007, Example 43 | US10787438, Example 43 | US11634410, Example 43 | [(1R,5S,6R)-3-{6-(difluoromethyl)-5-methyl-2-[(2S)-2-methylazetidin-1-yl]pyrimidin-4-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. | C17H22F2N4O2 |
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| Mol. Mass. | 352.379 |
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| SMILES | C[C@H]1CCN1c1nc(C(F)F)c(C)c(n1)N1C[C@H]2[C@H](CC(O)=O)[C@H]2C1 |
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| Structure | 
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