Reaction Details Report a problem with these data
Target
Ketohexokinase
Ligand
BDBM518417
Substrate
n/a
Meas. Tech.
KHK Enzyme Activity Assay for Human KHK-C and Human KHK-A
IC50
8.03±n/a nM
Citation
 Coates, DA; Durham, TB; Johnston, RD; Massey, SM; Spinazze, PG; Stack, DR; Toth, JL Disubstituted pyrazole compounds US Patent  US11124500 Publication Date 9/21/2021 
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:
BDBM518417
Synonyms:
6-[1-(2-Hydroxyethyl)pyrazol-4-yl]-2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile | US11124500, Example 11
Type:
Small organic molecule
Emp. Form.:
C16H16F3N5O
Mol. Mass.:
351.3263
SMILES:
C[C@H]1CCN1c1nc(cc(c1C#N)C(F)(F)F)-c1cnn(CCO)c1 |r|
Structure:
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