Reaction Details |
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Target | Ketohexokinase |
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Ligand | BDBM601403 |
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Substrate/Competitor | n/a |
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Meas. Tech. | KHK-C Assay B |
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IC50 | 1.50±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 US11634410 Publication Date 4/25/2023 |
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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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BDBM601403 |
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n/a |
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Name | BDBM601403 |
Synonyms: | US11634410, Example 50 | [(1R,5S,6R)-3-{5-cyano-4- [(2S,3R)-3-hydroxy-2- methylazetidin-1-yl]pyridin-2- 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(F)c(n1)C(C)(F)F |r| |
Structure |
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