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Target
Isoform A of Ketohexokinase (Peripheral)
Ligand
BDBM518434
Substrate
n/a
Meas. Tech.
KHK Enzyme Activity Assay for Human KHK-C and Human KHK-A
IC50
22.2±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:
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:
BDBM518434
Synonyms:
2-[(2S)-2-Methylazetidin-1-yl]-6-(1-tetrahydropyran-4-ylpyrazol-4-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile | US11124500, Example 26
Type:
Small organic molecule
Emp. Form.:
C19H20F3N5O
Mol. Mass.:
391.3902
SMILES:
C[C@H]1CCN1c1nc(cc(c1C#N)C(F)(F)F)-c1cnn(c1)C1CCOCC1 |r|
Structure:
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