acompound

Showing entry for (S)-2-Methylbutanoic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0005658
Compound Name	(S)-2-Methylbutanoic acid
Structure
Formula	C5H10O2
InchiKey	WLAMNBDJUVNPJU-BYPYZUCNSA-N
SMILES	CC[C@H](C)C(O)=O
Inchi	InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m0/s1
IUPAC	(2S)-2-methylbutanoic acid
Molecular Weight	102.13
Pubchem Id	448893
Chembl Id	CHEMBL1162482

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

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	-	-	-	-	-
P23141	BXGT008830	Liver carboxylesterase 1	reviewed	CES1	Enzyme	-	-	-	-

Binding DB

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	BXGT017282	Solute carrier family 22 member 20	reviewed		Slc22a20	40738.03	-	-	-
reviewed	BXGT018912	Solute carrier family 22 member 6	reviewed		Slc22a6	912010.84	-	-	-

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
Q80UJ1	BXGT017282	Solute carrier family 22 member 20	reviewed	-	Slc22a20	Ki	'='	40738	nM
Q8VC69	BXGT018912	Solute carrier family 22 member 6	reviewed	-	Slc22a6	Ki	'='	912010	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00074	Cardamom	Elettaria cardamomum	Herbs and Spices
BXGF00816	Fats and oils		Fats and oils
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
BXGF03053	Arnebia guttata	Arnebia guttata	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}