acompound

Showing entry for R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0004178
Compound Name	R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl
Structure
Formula	C10H18O4
InchiKey	SOJFCTIYHPWXGZ-UHFFFAOYSA-N
SMILES	CC(C)CC(=O)OC(C(C)C)C(O)=O
Inchi	InChI=1S/C10H18O4/c1-6(2)5-8(11)14-9(7(3)4)10(12)13/h6-7,9H,5H2,1-4H3,(H,12,13)
IUPAC	3-methyl-2-[(3-methylbutanoyl)oxy]butanoic acid
Molecular Weight	202.25
Pubchem Id	22922043
Chembl Id	CHEMBL2048511

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

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	BXGT010462	Collagenase 3	reviewed	Enzyme	MMP13	-	42520	-	-
reviewed	BXGT006120	Interstitial collagenase	reviewed	Enzyme	MMP1	-	10560	-	-
reviewed	BXGT006757	72 kDa type IV collagenase	reviewed	Enzyme	MMP2	-	23320	-	-
reviewed	BXGT006758	Stromelysin-1	reviewed	Enzyme	MMP3	-	38150	-	-
reviewed	BXGT008053	Matrix metalloproteinase-9	reviewed	Enzyme	MMP9	-	14280	-	-

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
P14780	BXGT008053	Matrix metalloproteinase-9	reviewed	Enzyme	MMP9	Inhibition	'>'	30	%
P08254	BXGT006758	Stromelysin-1	reviewed	Enzyme	MMP3	IC50	'='	38150	nM
P08254	BXGT006758	Stromelysin-1	reviewed	Enzyme	MMP3	Inhibition	'>'	30	%
P03956	BXGT006120	Interstitial collagenase	reviewed	Enzyme	MMP1	IC50	'='	10560	nM
P08253	BXGT006757	72 kDa type IV collagenase	reviewed	Enzyme	MMP2	IC50	'='	23320	nM
P45452	BXGT010462	Collagenase 3	reviewed	Enzyme	MMP13	Inhibition	'>'	30	%
P14780	BXGT008053	Matrix metalloproteinase-9	reviewed	Enzyme	MMP9	IC50	'='	14280	nM
P39900	BXGT010148	Macrophage metalloelastase	reviewed	Enzyme	MMP12	IC50	-	-	-
P45452	BXGT010462	Collagenase 3	reviewed	Enzyme	MMP13	IC50	'='	42520	nM
P08253	BXGT006757	72 kDa type IV collagenase	reviewed	Enzyme	MMP2	Inhibition	'>'	30	%
P03956	BXGT006120	Interstitial collagenase	reviewed	Enzyme	MMP1	Inhibition	'>'	30	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00816	Fats and oils		Fats and oils
BXGF00818	Herbs and Spices		Herbs and Spices

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}