Showing entry for 2-Acetylpyridine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0007091
Compound Name2-Acetylpyridine
Structure
FormulaC7H7NO
InchiKeyAJKVQEKCUACUMD-UHFFFAOYSA-N
SMILESCC(=O)C1=CC=CC=N1
InchiInChI=1S/C7H7NO/c1-6(9)7-4-2-3-5-8-7/h2-5H,1H3
IUPAC1-(pyridin-2-yl)ethan-1-one
Molecular Weight121.14
Pubchem Id14286
Chembl IdCHEMBL11945
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB 50026891
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT006758 Stromelysin-1 reviewed Enzyme MMP3 - - >25000000 -
CHEMBL CHEMBL11945
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 29092 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 19952 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 707 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 631 nM
P04150 BXGT006154 Glucocorticoid receptor reviewed Nuclear receptor NR3C1 Potency - 39810 nM
Q9ES14 BXGT020314 Gamma-aminobutyric acid receptor subunit epsilon reviewed - Gabre Ki '>' 100000 nM
Q91ZM7 BXGT019327 GABA theta subunit unreviewed - Gabrq Ki '>' 100000 nM
P63138 BXGT011502 Gamma-aminobutyric acid receptor subunit beta-2 reviewed - Gabrb2 Ki '>' 100000 nM
P63079 BXGT011491 Gamma-aminobutyric acid receptor subunit beta-3 reviewed - Gabrb3 Ki '>' 100000 nM
P62813 BXGT011460 Gamma-aminobutyric acid receptor subunit alpha-1 reviewed - Gabra1 Ki '>' 100000 nM
P30191 BXGT009410 Gamma-aminobutyric acid receptor subunit alpha-6 reviewed - Gabra6 Ki '>' 100000 nM
P28473 BXGT009261 Gamma-aminobutyric acid receptor subunit gamma-3 reviewed - Gabrg3 Ki '>' 100000 nM
P28471 BXGT009259 Gamma-aminobutyric acid receptor subunit alpha-4 reviewed - Gabra4 Ki '>' 100000 nM
P23576 BXGT008885 Gamma-aminobutyric acid receptor subunit alpha-2 reviewed - Gabra2 Ki '>' 100000 nM
P23574 BXGT008884 Gamma-aminobutyric acid receptor subunit gamma-1 reviewed - Gabrg1 Ki '>' 100000 nM
P20236 BXGT008551 Gamma-aminobutyric acid receptor subunit alpha-3 reviewed - Gabra3 Ki '>' 100000 nM
P19969 BXGT008536 Gamma-aminobutyric acid receptor subunit alpha-5 reviewed - Gabra5 Ki '>' 100000 nM
P18508 BXGT008412 Gamma-aminobutyric acid receptor subunit gamma-2 reviewed - Gabrg2 Ki '>' 100000 nM
P18506 BXGT008410 Gamma-aminobutyric acid receptor subunit delta reviewed - Gabrd Ki '>' 100000 nM
P15431 BXGT008122 Gamma-aminobutyric acid receptor subunit beta-1 reviewed - Gabrb1 Ki '>' 100000 nM
O09028 BXGT004049 Gamma-aminobutyric acid receptor subunit pi reviewed - Gabrp Ki '>' 100000 nM
P08254 BXGT006758 Stromelysin-1 reviewed Enzyme MMP3 Kd '>' 25000000 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00033 Kohlrabi Brassica oleracea var. gongylodes Vegetables
BXGF00038 Tea Camellia sinensis Teas
BXGF00806 Alcoholic beverages Beverages
BXGF00810 Cereals and cereal products Cereals and cereal products
BXGF00812 Cocoa and cocoa products Cocoa and cocoa products
BXGF00818 Herbs and Spices Herbs and Spices
BXGF00821 Nuts Nuts
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease