acompound

Showing entry for 2-Methylbutanoic acid

General Compound Information
BXGC Id	BXGC0004199
Compound Name	2-Methylbutanoic acid
Structure
Formula	C5H10O2
InchiKey	WLAMNBDJUVNPJU-UHFFFAOYSA-N
SMILES	CCC(C)C(O)=O
Inchi	InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
IUPAC	2-methylbutanoic acid
Molecular Weight	102.13
Pubchem Id	8314
Chembl Id	CHEMBL1160012

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

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

CHEMBL1160012

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
Q8VC69	BXGT018912	Solute carrier family 22 member 6	reviewed	-	Slc22a6	Ki	'='	920000	nM
Q8VC69	BXGT018912	Solute carrier family 22 member 6	reviewed	-	Slc22a6	Ki	'='	912010	nM
Q13148	BXGT013318	TAR DNA-binding protein 43	reviewed	-	TARDBP	Potency	-	2238	nM
Q80UJ1	BXGT017282	Solute carrier family 22 member 20	reviewed	-	Slc22a20	Ki	'='	40700	nM
Q7Z4W1	BXGT017257	L-xylulose reductase	reviewed	-	DCXR	Protein interaction energy	'='	-29	kCal M-1
Q80UJ1	BXGT017282	Solute carrier family 22 member 20	reviewed	-	Slc22a20	Ki	'='	40738	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00017	Burdock	Arctium lappa	Vegetables
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF00042	Safflower	Carthamus tinctorius	Herbs and Spices
BXGF00050	Chinese cinnamon	Cinnamomum aromaticum	Herbs and Spices
BXGF00074	Cardamom	Elettaria cardamomum	Herbs and Spices
BXGF00079	Common buckwheat	Fagopyrum esculentum	Cereals and cereal products
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00144	Apricot	Prunus armeniaca	Fruits
BXGF00179	Cloves	Syzygium aromaticum	Herbs and Spices
BXGF00191	Highbush blueberry	Vaccinium corymbosum	Fruits
BXGF00192	American cranberry	Vaccinium macrocarpon	Fruits
BXGF00193	Bilberry	Vaccinium myrtillus	Fruits
BXGF00393	Pepper (C. frutescens)	Capsicum annuum var. annuum	Vegetables
BXGF00813	Coffee and coffee products		Coffee and coffee products
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
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF01230	Lithospermum erythrorhizon	Lithospermum erythrorhizon	Medicinal Plant
BXGF01721	Humulus lupulus	Humulus lupulus	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02612	Mosla chinensis	Mosla chinensis	Medicinal Plant
BXGF03053	Arnebia guttata	Arnebia guttata	Medicinal Plant
BXGF03243	Elsholtzia ciliata	Elsholtzia ciliata	Medicinal Plant
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF05977	Schisandra chinensis	Schisandra chinensis	Medicinal Plant

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}