Reaction Details Report a problem with these data
Target
Isoform A of Ketohexokinase (Peripheral)
Ligand
BDBM518442
Substrate
n/a
Meas. Tech.
KHK Enzyme Activity Assay for Human KHK-C and Human KHK-A
IC50
3.63±1.13 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:
Isoform A of Ketohexokinase (Peripheral)
Synonyms:
KHK | KHK_HUMAN | Ketohexokinase (KHK) Isoform A | Ketohexokinase (Peripheral)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
32727.42
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
298
Sequence:
MEEKQILCVGLVVLDVISLVDKYPKEDSEIRCLSQRWQRGGNASNSCTVLSLLGAPCAFMGSMAPGHVADFVLDDLRRYSVDLRYTVFQTTGSVPIATVIINEASGSRTILYYDRSLPDVSATDFEKVDLTQFKWIHIEGRNASEQVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELFQLFGYGDVVFVSKDVAKHLGFQSAEEALRGLYGRVRKGAVLVCAWAEEGADALGPDGKLLHSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDGIV
  
Inhibitor
Name:
BDBM518442
Synonyms:
4-[1-(Azetidin-3-yl)pyrazol-4-yl]-2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidine | US11124500, Example 33
Type:
Small organic molecule
Emp. Form.:
C15H17F3N6
Mol. Mass.:
338.3309
SMILES:
C[C@H]1CCN1c1nc(cc(n1)C(F)(F)F)-c1cnn(c1)C1CNC1 |r|
Structure:
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