acompound

General Compound Information
BXGC Id	BXGC0004730
Compound Name	4-Hydroxyphenylacetic acid
Structure
Formula	C8H8O3
InchiKey	XQXPVVBIMDBYFF-UHFFFAOYSA-N
SMILES	OC(=O)CC1=CC=C(O)C=C1
Inchi	InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
IUPAC	2-(4-hydroxyphenyl)acetic acid
Molecular Weight	152.15
Pubchem Id	127
Chembl Id	CHEMBL1772

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
P06875	BXGT006520	Penicillin G acylase	reviewed	pac	-	-	-	-	-
Q6Q272	BXGT016491	p-hydroxyphenylacetate 3-hydroxylase, oxygenase component	reviewed	C2-hpah	-	-	-	-	-
Q38HX4	BXGT014367	4-hydroxyphenylacetate decarboxylase large subunit	reviewed	csdB	-	-	-	-	-
Q5SJP8	BXGT015752	4-hydroxyphenylacetate 3-monooxygenase oxygenase component	reviewed	TTHA0960	-	-	-	-	-
P00437	BXGT005537	Protocatechuate 3,4-dioxygenase beta chain	reviewed	pcaH	-	5000000	-	-	-
Q7DD70	BXGT016965	Transcriptional regulator, MarR family	unreviewed	NMB1843	-	-	-	1500000	-

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	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	10300	-	-	-
reviewed	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	309000	-	-	-
reviewed	BXGT012457	Beta-carbonic anhydrase 1	reviewed		mtcA1	10800	-	-	-
reviewed	BXGT015288	Carbonic anhydrase	reviewed		NCE103	1020	-	-	-

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
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'='	10300	nM
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Kinact	'='	10	uM
P00734	BXGT005630	Prothrombin	reviewed	Enzyme	F2	Inhibition	-	-	-
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'='	309000	nM
P96878	BXGT012191	Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase)	unreviewed	-	Rv3273	Ki	'='	11400	nM
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	89125	nM
P35218	BXGT009796	Carbonic anhydrase 5A, mitochondrial	reviewed	-	CA5A	Kinact	'='	99	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	2818	nM
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Kinact	'='	309	uM
Q5AJ71	BXGT015288	Carbonic anhydrase	reviewed	-	NCE103	Ki	'='	1020	nM
P9WPJ7	BXGT012457	Beta-carbonic anhydrase 1	reviewed	-	mtcA1	Ki	'='	10800	nM
Q9R1U7	BXGT021423	Solute carrier family 22 member 8	reviewed	-	Slc22a8	Activity	'='	29	%
Q9Y2D0	BXGT022229	Carbonic anhydrase 5B, mitochondrial	reviewed	-	CA5B	Kinact	'='	107	nM
Q3I4V7	BXGT014421	Carbonic anhydrase	unreviewed	-	CAN2	Ki	'='	900	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00022	Oat	Avena sativa	Cereals and cereal products
BXGF00076	Loquat	Eriobotrya japonica	Fruits
BXGF00120	Evening primrose	Oenothera biennis	Herbs and Spices
BXGF00121	Olive	Olea europaea	Vegetables
BXGF00181	Dandelion	Taraxacum officinale	Herbs and Spices
BXGF00182	Cocoa bean	Theobroma cacao	Cocoa and cocoa products
BXGF00192	American cranberry	Vaccinium macrocarpon	Fruits
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00248	Beer		Beverages
BXGF00570	Grape wine		Beverages
BXGF00805	Mushrooms		Vegetables
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF02956	Forsythia viridissima	Forsythia viridissima	Medicinal Plant
BXGF02962	Melilotus officinalis	Melilotus officinalis	Medicinal Plant
BXGF03253	Forsythia suspensa	Forsythia suspensa	Medicinal Plant
BXGF03765	Alcea rosea	Alcea rosea	Medicinal Plant
BXGF04300	Tetrapanax papyrifer	Tetrapanax papyrifer	Medicinal Plant
BXGF05752	Astilbe chinensis	Astilbe chinensis	Medicinal Plant
BXGF05753	Citrus limonia	Citrus limonia	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}