Reaction Details |
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Target | Ketohexokinase |
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Ligand | BDBM50349744 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_759463 (CHEMBL1810789) |
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IC50 | 87±n/a nM |
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Citation | Zhang, X; Song, F; Kuo, GH; Xiang, A; Gibbs, AC; Abad, MC; Sun, W; Kuo, LC; Sui, Z Optimization of a pyrazole hit from FBDD into a novel series of indazoles as ketohexokinase inhibitors. Bioorg Med Chem Lett21:4762-7 (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 |
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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BDBM50349744 |
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n/a |
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Name | BDBM50349744 |
Synonyms: | CHEMBL1809171 | US8822447, 140 | US9771375, Example 140 |
Type | Small organic molecule |
Emp. Form. | C20H21N3OS |
Mol. Mass. | 351.465 |
SMILES | COc1ccc(cc1)-n1nc(SC)c2ccc(cc12)C1=CCNCC1 |t:22| |
Structure |
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