Reaction Details Report a problem with these data
Target
Isoform A of Ketohexokinase (Peripheral)
Ligand
BDBM518421
Substrate
n/a
Meas. Tech.
KHK Enzyme Activity Assay for Human KHK-C and Human KHK-A
IC50
26.7±3.66 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
More Info.:
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:
BDBM518421
Synonyms:
(2S,3R)-2-Methyl-1-[4-[1-[(3S)- pyrrolidin-3-yl]pyrazol-4-yl]-6- (trifluoromethyl)pyrimidin-2- yl]azetidin-3-ol | US11124500, Example 15
Type:
Small organic molecule
Emp. Form.:
C16H19F3N6O
Mol. Mass.:
368.3569
SMILES:
C[C@H]1[C@H](O)CN1c1nc(cc(n1)C(F)(F)F)-c1cnn(c1)[C@H]1CCNC1 |r|