Target
Ketohexokinase
Ligand
BDBM50241212
Substrate
n/a
Meas. Tech.
ChEMBL_1669644 (CHEMBL4019532)
IC50
24210±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 Chem 60:7835-7849 (2017) [PubMed]  Article 
Target
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:
MEEKQILCVGLVVLDVISLVDKYPKEDSEIRCLSQRWQRGGNASNSCTVLSLLGAPCAFMGSMAPGHVADFLVADFRRRGVDVSQVAWQSKGDTPSSCCIINNSNGNRTIVLHDTSLPDVSATDFEKVDLTQFKWIHIEGRNASEQVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELFQLFGYGDVVFVSKDVAKHLGFQSAEEALRGLYGRVRKGAVLVCAWAEEGADALGPDGKLLHSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDGIV
  
Inhibitor
Name:
BDBM50241212
Synonyms:
CHEMBL4092972
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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