Reaction Details |
| Report a problem with these data |
Target | Ketohexokinase |
---|
Ligand | BDBM50241195 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_1669644 (CHEMBL4019532) |
---|
IC50 | 676±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 Chem60:7835-7849 (2017) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Ketohexokinase |
---|
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: | MEEKQILCVGLVVLDVISLVDKYPKEDSEIRCLSQRWQRGGNASNSCTVLSLLGAPCAFM
GSMAPGHVADFLVADFRRRGVDVSQVAWQSKGDTPSSCCIINNSNGNRTIVLHDTSLPDV
SATDFEKVDLTQFKWIHIEGRNASEQVKMLQRIDAHNTRQPPEQKIRVSVEVEKPREELF
QLFGYGDVVFVSKDVAKHLGFQSAEEALRGLYGRVRKGAVLVCAWAEEGADALGPDGKLL
HSDAFPPPRVVDTLGAGDTFNASVIFSLSQGRSVQEALRFGCQVAGKKCGLQGFDGIV
|
|
|
BDBM50241195 |
---|
n/a |
---|
Name | BDBM50241195 |
Synonyms: | CHEMBL4063606 |
Type | Small organic molecule |
Emp. Form. | C14H13F3N4O |
Mol. Mass. | 310.2744 |
SMILES | C[C@]1(O)CCN(C1)c1c(C#N)c(nc2cc[nH]c12)C(F)(F)F |r| |
Structure |
|