| Reaction Details |
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 | Report a problem with these data |
| Target | Ketohexokinase |
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| Ligand | BDBM50241178 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1669645 (CHEMBL4019533) |
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| IC50 | 340±n/a nM |
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| Citation |  Huard, K; Ahn, K; Amor, P; Beebe, DA; Borzilleri, KA; Chrunyk, BA; Coffey, SB; Cong, Y; Conn, EL; Culp, JS; Dowling, MS; Gorgoglione, MF; Gutierrez, JA; Knafels, JD; Lachapelle, EA; Pandit, J; Parris, KD; Perez, S; Pfefferkorn, JA; Price, DA; Raymer, B; Ross, TT; Shavnya, A; Smith, AC; Subashi, TA; Tesz, GJ; Thuma, BA; Tu, M; Weaver, JD; Weng, Y; Withka, JM; Xing, G; Magee, TV Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J Med Chem60:7835-7849 (2017) [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: | 2.7.1.3 | Hepatic fructokinase | KHK_RAT | Ketohexokinase | Khk |
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| Type: | PROTEIN |
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| Mol. Mass.: | 32749.44 |
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| Organism: | Rattus norvegicus |
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| Description: | ChEMBL_117528 |
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| Residue: | 298 |
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| Sequence: | MEEKQILCVGLVVLDIINVVDKYPEEDTDRRCLSQRWQRGGNASNSCTVLSLLGARCAFM
GSLAHGHVADFLVADFRRRGVDVSQVAWQSQGDTPCSCCIVNNSNGSRTIILYDTNLPDV
SAKDFEKVDLTRFKWIHIEGRNASEQVKMLQRIEQYNATQPLQQKVRVSVEIEKPREELF
QLFGYGEVVFVSKDVAKHLGFRSAGEALKGLYSRVKKGATLICAWAEEGADALGPDGQLL
HSDAFPPPRVVDTLGAGDTFNASVIFSLSKGNSMQEALRFGCQVAGKKCGLQGFDGIV
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| BDBM50241178 |
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| n/a |
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| Name | BDBM50241178 |
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| Synonyms: | CHEMBL4070442 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H19F3N4O3 |
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| Mol. Mass. | 372.3423 |
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| SMILES | C[C@]1(O)CCN(C1)c1nc(cc(c1C#N)C(F)(F)F)N1C[C@H](O)[C@@H](O)C1 |r| |
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| Structure | 
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