acompound

General Compound Information
BXGC Id	BXGC0004748
Compound Name	Phenylacetic acid
Structure
Formula	C8H8O2
InchiKey	WLJVXDMOQOGPHL-UHFFFAOYSA-N
SMILES	OC(=O)CC1=CC=CC=C1
Inchi	InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
IUPAC	2-phenylacetic acid
Molecular Weight	136.15
Pubchem Id	999
Chembl Id	CHEMBL1044

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	-	-	-	-	-
P06875	BXGT006520	Penicillin G acylase	reviewed	pac	-	1100000	-	-	-
P15121	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	AKR1B1	Enzyme	96000	-	-	-
P15121	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	AKR1B1	Enzyme	360000	-	-	-
B4E7B5	BXGT002094	Phenylacetate-coenzyme A ligase	unreviewed	paaK	-	-	-	-	-
Q05115	BXGT012806	Arylmalonate decarboxylase	reviewed		-	-	-	-	-
A0A0A1VBK6	BXGT000108	Protein related to penicillin acylase	unreviewed	AVS7_00617	-	-	-	-	-
O52792	BXGT023675	4-hydroxymandelate oxidase	reviewed	hmo	-	-	-	-	-

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	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	96000	-	-	-
reviewed	BXGT008271	Prolyl 4-hydroxylase subunit alpha-1	reviewed		P4HA1	>20000000	-	-	-
reviewed	BXGT006427	Tyrosine-protein kinase Lck	reviewed	Kinase	LCK	-	-	>50000000	-
reviewed	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	-	96000	-	-

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
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	18	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	19	%
P27169	BXGT009161	Serum paraoxonase/arylesterase 1	reviewed	-	PON1	Activity	'='	112	umol/min/mg
P15121	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	IC50	'='	96000	nM
P06239	BXGT006427	Tyrosine-protein kinase Lck	reviewed	Kinase	LCK	Kd	'>'	50000000	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	39	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	41	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	58	%
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	'='	55	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00093	Black walnut	Juglans nigra	Nuts
BXGF00113	Peppermint	Mentha X piperita	Herbs and Spices
BXGF00139	Pepper (Spice)	Piper nigrum	Herbs and Spices
BXGF00141	Common pea	Pisum sativum	Pulses
BXGF00148	Almond	Prunus dulcis	Nuts
BXGF00182	Cocoa bean	Theobroma cacao	Cocoa and cocoa products
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00806	Alcoholic beverages		Beverages
BXGF00811	Citrus		Fruits
BXGF00815	Milk and milk products		Milk and milk products
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00823	Fruits		Fruits
BXGF01013	Trichilia hirta	Trichilia hirta	Human Edible Plant
BXGF02692	Plectocephalus chilensis	Plectocephalus chilensis	Others
BXGF02794	Ephedra aphylla	Ephedra aphylla	Others
BXGF05086	Quercus suber	Quercus suber	Medicinal Plant
BXGF05148	Munronia delavayi	Munronia delavayi	Others
BXGF05251	Allium neapolitanum	Allium neapolitanum	Medicinal Plant
BXGF05342	Cycas armstrongii	Cycas armstrongii	Human Edible Plant
BXGF05395	Cycas revoluta	Cycas revoluta	Medicinal Plant
BXGF05591	Mammillaria magnimamma	Mammillaria magnimamma	Others
BXGF05618	Licaria armeniaca	Licaria armeniaca	Human Edible Plant
BXGF05733	Typha domingensis	Typha domingensis	Medicinal Plant
BXGF05819	Citrus aurantium	Citrus aurantium	Medicinal Plant
BXGF05962	Rehmannia glutinosa	Rehmannia glutinosa	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}