Reaction Details |
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Target | Ketohexokinase |
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Ligand | BDBM50380257 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_831738 (CHEMBL2065101) |
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IC50 | 8±n/a nM |
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Citation | Maryanoff, BE; O'Neill, JC; McComsey, DF; Yabut, SC; Luci, DK; Gibbs, AC; Connelly, MA Pyrimidinopyrimidine inhibitors of ketohexokinase: exploring the ring C2 group that interacts with Asp-27B in the ligand binding pocket. Bioorg Med Chem Lett22:5326-9 (2012) [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 |
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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BDBM50380257 |
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n/a |
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Name | BDBM50380257 |
Synonyms: | CHEMBL2017253 |
Type | Small organic molecule |
Emp. Form. | C22H26N8S |
Mol. Mass. | 434.56 |
SMILES | CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CC2(CNC2)C1 |
Structure |
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