Reaction Details |
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Target | Ketohexokinase |
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Ligand | BDBM319600 |
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Substrate/Competitor | n/a |
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Meas. Tech. | KHK Assay A |
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IC50 | 9.70±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 US10174007 Publication Date 1/8/2019 |
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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 |
Synonyms: | Hepatic fructokinase | KHK | KHK_HUMAN | Ketohexokinase | Ketohexokinase (KHK) | Ketohexokinase (KHK) Isoform C |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 32521.64 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 298 |
Sequence: | MEEKQILCVGLVVLDVISLVDKYPKEDSEIRCLSQRWQRGGNASNSCTVLSLLGAPCAFM
GSMAPGHVADFLVADFRRRGVDVSQVAWQSKGDTPSSCCIINNSNGNRTIVLHDTSLPDV
SATDFEKVDLTQFKWIHIEGRNASEQVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELF
QLFGYGDVVFVSKDVAKHLGFQSAEEALRGLYGRVRKGAVLVCAWAEEGADALGPDGKLL
HSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDGIV
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BDBM319600 |
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n/a |
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Name | BDBM319600 |
Synonyms: | US10174007, Example 24 | US10787438, Example 24 | US11634410, Example 24 | [(1R,5S,6R)-3-{2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-5-methyl-6-(trifluoromethyl)pyrimidin-4-yl}-3-azabicyclo[3.1.0]hex-6-yl]acetic acid |
Type | Small organic molecule |
Emp. Form. | C17H21F3N4O3 |
Mol. Mass. | 386.3688 |
SMILES | C[C@H]1[C@H](O)CN1c1nc(N2C[C@H]3[C@H](CC(O)=O)[C@H]3C2)c(C)c(n1)C(F)(F)F |
Structure |
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