acompound

General Compound Information
BXGC Id	BXGC0002427
Compound Name	2-Methylpropanoic acid
Structure
Formula	C4H8O2
InchiKey	KQNPFQTWMSNSAP-UHFFFAOYSA-N
SMILES	CC(C)C(O)=O
Inchi	InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
IUPAC	2-methylpropanoic acid
Molecular Weight	88.11
Pubchem Id	6590
Chembl Id	CHEMBL108778

Targets of Information Source

DrugBank

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
P96965	BXGT012195	2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase	unreviewed	-	cumD	experimental	-

PDB

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
P96965	BXGT012195	2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase	unreviewed	cumD	-	2900000	-	-	-
P04015	BXGT006127	Regulatory protein E2	reviewed	E2	-	-	-	-	-

Binding DB

n.a

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

CHEMBL

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
Q969S8	BXGT019613	Polyamine deacetylase HDAC10	reviewed	Epigenetic regulator	HDAC10	Activity	'='	80	%
Q9UKV0	BXGT021750	Histone deacetylase 9	reviewed	Epigenetic regulator	HDAC9	Activity	'='	80	%
P56524	BXGT011176	Histone deacetylase 4	reviewed	Epigenetic regulator	HDAC4	Activity	'='	80	%
Q96DB2	BXGT019639	Histone deacetylase 11	reviewed	Epigenetic regulator	HDAC11	Activity	'='	80	%
Q9BY41	BXGT020180	Histone deacetylase 8	reviewed	Epigenetic regulator	HDAC8	Activity	'='	80	%
Q8WUI4	BXGT018992	Histone deacetylase 7	reviewed	Epigenetic regulator	HDAC7	Activity	'='	80	%
Q9UQL6	BXGT021813	Histone deacetylase 5	reviewed	Epigenetic regulator	HDAC5	Activity	'='	80	%
Q92769	BXGT019370	Histone deacetylase 2	reviewed	Epigenetic regulator	HDAC2	Activity	'='	80	%
Q9UBN7	BXGT021658	Histone deacetylase 6	reviewed	Epigenetic regulator	HDAC6	Activity	'='	80	%
O15379	BXGT004159	Histone deacetylase 3	reviewed	Epigenetic regulator	HDAC3	Activity	'='	80	%
Q13547	BXGT013373	Histone deacetylase 1	reviewed	Epigenetic regulator	HDAC1	Activity	'='	80	%
B2GV46	BXGT001957	Free fatty acid receptor 3	reviewed	-	Ffar3	EC50	'='	30000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00015	Wild celery	Apium graveolens	Herbs and Spices
BXGF00017	Burdock	Arctium lappa	Vegetables
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00072	Wild carrot	Daucus carota	Vegetables
BXGF00097	Sweet bay	Laurus nobilis	Herbs and Spices
BXGF00113	Peppermint	Mentha X piperita	Herbs and Spices
BXGF00144	Apricot	Prunus armeniaca	Fruits
BXGF00162	Red raspberry	Rubus idaeus	Fruits
BXGF00204	Common grape	Vitis vinifera	Fruits
BXGF00230	Carrot	Daucus carota ssp. sativus	Vegetables
BXGF00296	Carob	Ceratonia siliqua	Vegetables
BXGF00393	Pepper (C. frutescens)	Capsicum annuum var. annuum	Vegetables
BXGF00806	Alcoholic beverages		Beverages
BXGF00808	Pomes		Fruits
BXGF00815	Milk and milk products		Milk and milk products
BXGF00820	Mollusks		Aquatic foods
BXGF00823	Fruits		Fruits
BXGF00829	Green bell pepper	Capsicum annuum	Vegetables
BXGF00830	Yellow bell pepper	Capsicum annuum	Vegetables
BXGF00831	Orange bell pepper	Capsicum annuum	Vegetables
BXGF00832	Red bell pepper	Capsicum annuum	Vegetables
BXGF01134	Arnebia euchroma	Arnebia euchroma	Medicinal Plant
BXGF01230	Lithospermum erythrorhizon	Lithospermum erythrorhizon	Medicinal Plant
BXGF02425	Ephedra herba	Ephedra herba	Others
BXGF03053	Arnebia guttata	Arnebia guttata	Medicinal Plant
BXGF04053	Smilax china	Smilax china	Medicinal Plant
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF05462	Campsis flos	Campsis flos	Others

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}