acompound

Showing entry for Dichloroacetic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0037224
Compound Name	Dichloroacetic Acid
Structure
Formula	C2H2Cl2O2
InchiKey	JXTHNDFMNIQAHM-UHFFFAOYSA-N
SMILES	ClC(C(=O)O)Cl
Inchi	InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)
IUPAC	2,2-dichloroacetic acid
Molecular Weight	127.94
Pubchem Id	6597
Chembl Id	CHEMBL13960

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
Q15118	BXGT013540	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial	reviewed	Kinase	PDK1	approved; investigational	inhibitor
O43708	BXGT004617	Maleylacetoacetate isomerase	reviewed	-	GSTZ1	approved; investigational	-

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
Q15119	BXGT013541	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial	reviewed	PDK2	Kinase	-	-	-	-
Q15118	BXGT013540	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial	reviewed	PDK1	Kinase	1000000	-	-	-

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	BXGT013541	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial	reviewed	Kinase	PDK2	-	183000	-	-
reviewed	BXGT013650	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial	reviewed	Kinase	PDK4	-	80000	-	-
reviewed	BXGT013541	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial	reviewed	Kinase	PDK2	-	>2000000	-	-

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
P02545	BXGT005889	Prelamin-A/C	reviewed	-	LMNA	Potency	'='	70	nM
Q16654	BXGT013650	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial	reviewed	Kinase	PDK4	IC50	'='	727000	nM
P15917	BXGT008169	Lethal factor	reviewed	-	lef	Potency	'='	5011	nM
P04150	BXGT006154	Glucocorticoid receptor	reviewed	Nuclear receptor	NR3C1	Potency	-	707	nM
Q15118	BXGT013540	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial	reviewed	Kinase	PDK1	IC50	'>'	2000000	nM
Q16654	BXGT013650	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial	reviewed	Kinase	PDK4	IC50	'>'	2000000	nM
Q15120	BXGT013542	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial	reviewed	Kinase	PDK3	IC50	'>'	2000000	nM
Q15119	BXGT013541	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial	reviewed	Kinase	PDK2	IC50	'>'	2000000	nM
Q15118	BXGT013540	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial	reviewed	Kinase	PDK1	IC50	'='	1025000	nM
Q15118	BXGT013540	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial	reviewed	Kinase	PDK1	Inhibition	-	-	-
Q15119	BXGT013541	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial	reviewed	Kinase	PDK2	IC50	'='	9000000	nM
O43708	BXGT004617	Maleylacetoacetate isomerase	reviewed	-	GSTZ1	Activity	-	-	-
P10828	BXGT007624	Thyroid hormone receptor beta	reviewed	Nuclear receptor	THRB	Potency	-	158	nM
Q15119	BXGT013541	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial	reviewed	Kinase	PDK2	IC50	'='	504000	nM
Q15120	BXGT013542	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial	reviewed	Kinase	PDK3	IC50	'='	5560000	nM
Q15118	BXGT013540	[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial	reviewed	Kinase	PDK1	IC50	'='	5100000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01591	Uncaria quadrangularis	Uncaria quadrangularis	Others
BXGF01906	Ainsliaea dissecta	Ainsliaea dissecta	Others
BXGF02349	Pulicaria dysenterica	Pulicaria dysenterica	Medicinal Plant
BXGF02586	Platycarphella carlinoides	Platycarphella carlinoides	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}