Reaction Details Report a problem with these data
Target
Ketohexokinase
Ligand
BDBM518412
Substrate
n/a
Meas. Tech.
KHK Enzyme Activity Assay for Human KHK-C and Human KHK-A
IC50
25.7±5.14 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:
BDBM518412
Synonyms:
2-[(2R)-2-(Hydroxymethyl)azetidin-1-yl]-6-[1-(4-piperidyl)pyrazol-4-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile | US11124500, Example 6
Type:
Small organic molecule
Emp. Form.:
C19H21F3N6O
Mol. Mass.:
406.4048
SMILES:
OC[C@H]1CCN1c1nc(cc(c1C#N)C(F)(F)F)-c1cnn(c1)C1CCNCC1 |r|
Structure:
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