Reaction Details Report a problem with these data
Target
Ketohexokinase
Ligand
BDBM518422
Substrate
n/a
Meas. Tech.
KHK Enzyme Activity Assay for Human KHK-C and Human KHK-A
IC50
28.0±17.3 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:
BDBM518422
Synonyms:
US11124500, Example 16 | [(2R)-1-[4-[1-[(3R)-Pyrrolidin-3- yl]pyrazol-4-yl]-6- (trifluoromethyl)pyrimidin-2- yl]azetidin-2-yl]methanol
Type:
Small organic molecule
Emp. Form.:
C16H19F3N6O
Mol. Mass.:
368.3569
SMILES:
OC[C@H]1CCN1c1nc(cc(n1)C(F)(F)F)-c1cnn(c1)[C@@H]1CCNC1 |r|
Structure:
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