acompound

Showing entry for 2-Carboxybenzeneacetic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0038038
Compound Name	2-Carboxybenzeneacetic Acid
Structure
Formula	C9H8O4
InchiKey	ZHQLTKAVLJKSKR-UHFFFAOYSA-N
SMILES	OC(=O)Cc1ccccc1C(=O)O
Inchi	InChI=1S/C9H8O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
IUPAC	2-(carboxymethyl)benzoic acid
Molecular Weight	180.04
Pubchem Id	66643
Chembl Id	CHEMBL1229545

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	BXGT005630	Prothrombin	reviewed	Enzyme	F2	-	>50000	-	-

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
P00734	BXGT005630	Prothrombin	reviewed	Enzyme	F2	IC50	'>'	50000	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	2818	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05157	Garcinia morella	Garcinia morella	Medicinal Plant
BXGF05605	Aglaomorpha coronans	Aglaomorpha coronans	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}