Reaction Details Report a problem with these data
Target
Isoform A of Ketohexokinase (Peripheral)
Ligand
BDBM518413
Substrate
n/a
Meas. Tech.
KHK Enzyme Activity Assay for Human KHK-C and Human KHK-A
IC50
6.02±2.27 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:
BDBM518413
Synonyms:
2-[(2S,3R)-3-Hydroxy-2-methyl-azetidin-1-yl]-6-[1-(4-piperidyl)pyrazol-4-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile | US11124500, Example 7
Type:
Small organic molecule
Emp. Form.:
C19H21F3N6O
Mol. Mass.:
406.4048
SMILES:
C[C@H]1[C@H](O)CN1c1nc(cc(c1C#N)C(F)(F)F)-c1cnn(c1)C1CCNCC1 |r|
Structure:
Search PDB for entries with ligand similarity: