| Reaction Details |
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 | Report a problem with these data |
| Target | Ketohexokinase |
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| Ligand | BDBM50241200 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1669644 (CHEMBL4019532) |
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| IC50 | 16790±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: | 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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| BDBM50241200 |
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| n/a |
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| Name | BDBM50241200 |
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| Synonyms: | CHEMBL4085228 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H26F3N5O2 |
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| Mol. Mass. | 413.4372 |
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| SMILES | OCCN1CCN(CC1)c1cc(c(C#N)c(n1)N1CCCC(CO)C1)C(F)(F)F |
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| Structure | 
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