Target
Ketohexokinase
Ligand
BDBM50241207
Substrate
n/a
Meas. Tech.
ChEMBL_1669643 (CHEMBL4019531)
Kd
20000±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:
BDBM50241207
Synonyms:
CHEMBL4086173
Type:
Small organic molecule
Emp. Form.:
C13H18N4O
Mol. Mass.:
246.3082
SMILES:
Cc1c[nH]c2ncnc(N3CCC[C@@H](CO)C3)c12 |r|
Structure:
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