Reaction Details |
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Target | Ketohexokinase |
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Ligand | BDBM50241195 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1669645 (CHEMBL4019533) |
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IC50 | 646±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 |
Synonyms: | 2.7.1.3 | Hepatic fructokinase | KHK_RAT | Ketohexokinase | Khk |
Type: | PROTEIN |
Mol. Mass.: | 32749.44 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_117528 |
Residue: | 298 |
Sequence: | MEEKQILCVGLVVLDIINVVDKYPEEDTDRRCLSQRWQRGGNASNSCTVLSLLGARCAFM
GSLAHGHVADFLVADFRRRGVDVSQVAWQSQGDTPCSCCIVNNSNGSRTIILYDTNLPDV
SAKDFEKVDLTRFKWIHIEGRNASEQVKMLQRIEQYNATQPLQQKVRVSVEIEKPREELF
QLFGYGEVVFVSKDVAKHLGFRSAGEALKGLYSRVKKGATLICAWAEEGADALGPDGQLL
HSDAFPPPRVVDTLGAGDTFNASVIFSLSKGNSMQEALRFGCQVAGKKCGLQGFDGIV
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BDBM50241195 |
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n/a |
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Name | BDBM50241195 |
Synonyms: | CHEMBL4063606 |
Type | Small organic molecule |
Emp. Form. | C14H13F3N4O |
Mol. Mass. | 310.2744 |
SMILES | C[C@]1(O)CCN(C1)c1c(C#N)c(nc2cc[nH]c12)C(F)(F)F |r| |
Structure |
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