| Reaction Details |
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 | Report a problem with these data |
| Target | Ketohexokinase |
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| Ligand | BDBM50380285 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_813545 (CHEMBL2019654) |
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| IC50 | 130±n/a nM |
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| Citation |  Maryanoff, BE; McComsey, DF; Yabut, SC; Luci, DK; Jordan, AD; Masucci, JA; Jones, WJ; Abad, MC; Gibbs, AC; Petrounia, I Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site. ACS Med Chem Lett2:538-543 (2011) [PubMed] Article |
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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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| BDBM50380285 |
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| n/a |
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| Name | BDBM50380285 |
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| Synonyms: | CHEMBL2017254 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H28N8S |
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| Mol. Mass. | 424.566 |
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| SMILES | CNCCN(C)c1nc(Nc2ccccc2SC)c2ncnc(NCC3CC3)c2n1 |
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| Structure | 
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