Reaction Details Report a problem with these data
Target
Ketohexokinase
Ligand
BDBM518406
Substrate
n/a
Meas. Tech.
KHK Enzyme Activity Assay for Human KHK-C and Human KHK-A
IC50
20.7±3.88 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:
BDBM518406
Synonyms:
2-[4-[2-[(2S)-2-Methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-1-piperazin-1-yl-ethanone | US11124500, Example 1
Type:
Small organic molecule
Emp. Form.:
C18H22F3N7O
Mol. Mass.:
409.4088
SMILES:
C[C@H]1CCN1c1nc(cc(n1)C(F)(F)F)-c1cnn(CC(=O)N2CCNCC2)c1 |r|
Structure:
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