acompound

Showing entry for 3-methoxybenzoic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0031949
Compound Name	3-methoxybenzoic acid
Structure
Formula	C8H8O3
InchiKey	XHQZJYCNDZAGLW-UHFFFAOYSA-N
SMILES	COc1cccc(c1)C(=O)O
Inchi	InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
IUPAC	3-methoxybenzoic acid
Molecular Weight	152.05
Pubchem Id	11461
Chembl Id	CHEMBL22425

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
Q2IU02	BXGT014103	Cytochrome P450	unreviewed	RPB_3613	-	-	-	69000	-

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	BXGT010864	Thiopurine S-methyltransferase	reviewed		TPMT	-	199526.23	-	-

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
P51580	BXGT010864	Thiopurine S-methyltransferase	reviewed	-	TPMT	IC50	'='	199526	nM
P17865	BXGT008349	Cell division protein FtsZ	reviewed	-	ftsZ	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03122	Lonicera caerulea	Lonicera caerulea	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}