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TargetKetohexokinase
LigandBDBM50241195
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1669644 (CHEMBL4019532)
IC50 676±n/a nM
Citation Huard, KAhn, KAmor, PBeebe, DABorzilleri, KAChrunyk, BACoffey, SBCong, YConn, ELCulp, JSDowling, MSGorgoglione, MFGutierrez, JAKnafels, JDLachapelle, EAPandit, JParris, KDPerez, SPfefferkorn, JAPrice, DARaymer, BRoss, TTShavnya, ASmith, ACSubashi, TATesz, GJThuma, BATu, MWeaver, JDWeng, YWithka, JMXing, GMagee, TV Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J Med Chem60:7835-7849 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Ketohexokinase
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50241195
n/a
NameBDBM50241195
Synonyms:CHEMBL4063606
TypeSmall organic molecule
Emp. Form.C14H13F3N4O
Mol. Mass.310.2744
SMILESC[C@]1(O)CCN(C1)c1c(C#N)c(nc2cc[nH]c12)C(F)(F)F |r|
Structure
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