Target
Ketohexokinase
Ligand
BDBM50241178
Substrate
n/a
Meas. Tech.
ChEMBL_1669670 (CHEMBL4019558)
IC50
389±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:
BDBM50241178
Synonyms:
CHEMBL4070442
Type:
Small organic molecule
Emp. Form.:
C16H19F3N4O3
Mol. Mass.:
372.3423
SMILES:
C[C@]1(O)CCN(C1)c1nc(cc(c1C#N)C(F)(F)F)N1C[C@H](O)[C@@H](O)C1 |r|
Structure:
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