acompound

Showing entry for Ethyl 3,4-Dihydroxybenzoate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0030123
Compound Name	Ethyl 3,4-Dihydroxybenzoate
Structure
Formula	C9H10O4
InchiKey	KBPUBCVJHFXPOC-UHFFFAOYSA-N
SMILES	CCOC(=O)c1ccc(c(c1)O)O
Inchi	InChI=1S/C9H10O4/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,10-11H,2H2,1H3
IUPAC	ethyl 3,4-dihydroxybenzoate
Molecular Weight	182.06
Pubchem Id	77547
Chembl Id	CHEMBL486216

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	BXGT010364	Carbonic anhydrase 7	reviewed		CA7	750	-	-	-
reviewed	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	610	-	-	-
reviewed	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	650	-	-	-
reviewed	BXGT021769	Carbonic anhydrase 14	reviewed		CA14	860	-	-	-
reviewed	BXGT004601	Carbonic anhydrase 12	reviewed		CA12	830	-	-	-
reviewed	BXGT013670	Carbonic anhydrase 9	reviewed		CA9	780	-	-	-

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
Q9ULX7	BXGT021769	Carbonic anhydrase 14	reviewed	-	CA14	Ki	'='	860	nM
Q9GZT9	BXGT020425	Egl nine homolog 1	reviewed	-	EGLN1	Inhibition	-	-	-
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'='	610	nM
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'='	650	nM
O43570	BXGT004601	Carbonic anhydrase 12	reviewed	-	CA12	Ki	'='	830	nM
Q16790	BXGT013670	Carbonic anhydrase 9	reviewed	-	CA9	Ki	'='	780	nM
P43166	BXGT010364	Carbonic anhydrase 7	reviewed	-	CA7	Ki	'='	750	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00016	Peanut	Arachis hypogaea	Nuts
BXGF01750	Leucaena leucocephala	Leucaena leucocephala	Medicinal Plant
BXGF02256	Rumex chalepensis	Rumex chalepensis	Others
BXGF02509	Xanthium sibiricum	Xanthium sibiricum	Medicinal Plant
BXGF02874	Tadehagi triquetrum	Tadehagi triquetrum	Medicinal Plant
BXGF04057	Abrus pulchellus	Abrus pulchellus	Medicinal Plant
BXGF04062	Spatholobus suberectus	Spatholobus suberectus	Medicinal Plant
BXGF04064	Rumex japonicus	Rumex japonicus	Medicinal Plant
BXGF04209	Chaenomeles sinensis	Chaenomeles sinensis	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}