Target
Ketohexokinase
Ligand
BDBM50241195
Substrate
n/a
Meas. Tech.
ChEMBL_1669645 (CHEMBL4019533)
IC50
640±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:
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:
MEEKQILCVGLVVLDIINVVDKYPEEDTDRRCLSQRWQRGGNASNSCTVLSLLGARCAFMGSLAHGHVADFLVADFRRRGVDVSQVAWQSQGDTPCSCCIVNNSNGSRTIILYDTNLPDVSAKDFEKVDLTRFKWIHIEGRNASEQVKMLQRIEQYNATQPLQQKVRVSVEIEKPREELFQLFGYGEVVFVSKDVAKHLGFRSAGEALKGLYSRVKKGATLICAWAEEGADALGPDGQLLHSDAFPPPRVVDTLGAGDTFNASVIFSLSKGNSMQEALRFGCQVAGKKCGLQGFDGIV
  
Inhibitor
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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