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Target
Ketohexokinase
Ligand
BDBM50241197
Substrate
n/a
Meas. Tech.
ChEMBL_1669644 (CHEMBL4019532)
IC50
1030±n/a nM
Citation
 Huard, K; Ahn, K; Amor, P; Beebe, DA; Borzilleri, KA; Chrunyk, BA; Coffey, SB; Cong, Y; Conn, EL; Culp, JS; Dowling, MS; Gorgoglione, MF; Gutierrez, JA; Knafels, JD; Lachapelle, EA; Pandit, J; Parris, KD; Perez, S; Pfefferkorn, JA; Price, DA; Raymer, B; Ross, TT; Shavnya, A; Smith, AC; Subashi, TA; Tesz, GJ; Thuma, BA; Tu, M; Weaver, JD; Weng, Y; Withka, JM; Xing, G; Magee, TV Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J Med Chem 60:7835-7849 (2017) [PubMed]  Article 
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:
BDBM50241197
Synonyms:
CHEMBL4072209
Type:
Small organic molecule
Emp. Form.:
C18H24F3N5O2
Mol. Mass.:
399.4107
SMILES:
C[C@]1(O)CCN(C1)c1nc(cc(c1C#N)C(F)(F)F)N1CCN(CCO)CC1 |r|
Structure:
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