Reaction Details Report a problem with these data
Target
Ketohexokinase
Ligand
BDBM50241178
Substrate
n/a
Meas. Tech.
ChEMBL_2022241 (CHEMBL4676054)
IC50
450±n/a nM
Citation
 Futatsugi, K; Smith, AC; Tu, M; Raymer, B; Ahn, K; Coffey, SB; Dowling, MS; Fernando, DP; Gutierrez, JA; Huard, K; Jasti, J; Kalgutkar, AS; Knafels, JD; Pandit, J; Parris, KD; Perez, S; Pfefferkorn, JA; Price, DA; Ryder, T; Shavnya, A; Stock, IA; Tsai, AS; Tesz, GJ; Thuma, BA; Weng, Y; Wisniewska, HM; Xing, G; Zhou, J; Magee, TV Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose. J Med Chem 63:13546-13560 (2020) [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:
Search PDB for entries with ligand similarity: